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Chemistry

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Also known as: Roscovitine, 186692-46-6, R-roscovitine, (r)-roscovitine, Cyc202, Cyc-202
Molecular Formula
C19H26N6O
Molecular Weight
354.4  g/mol
InChI Key
BTIHMVBBUGXLCJ-OAHLLOKOSA-N
FDA UNII
0ES1C2KQ94

Seliciclib
A purine derivative and competitive inhibitor of CYCLIN-DEPENDENT KINASES that has therapeutic potential as an antineoplastic and antiviral agent.
1 2D Structure

Seliciclib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
2.1.2 InChI
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
2.1.3 InChI Key
BTIHMVBBUGXLCJ-OAHLLOKOSA-N
2.1.4 Canonical SMILES
CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3
2.1.5 Isomeric SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
0ES1C2KQ94
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (2r)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol

2. 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine

3. Cyc 202

4. Cyc-202

5. Cyc202

6. R Roscovitine

7. R-roscovitine

8. Roscovitine

2.3.2 Depositor-Supplied Synonyms

1. Roscovitine

2. 186692-46-6

3. R-roscovitine

4. (r)-roscovitine

5. Cyc202

6. Cyc-202

7. Cyc 202

8. Seliciclib [inn]

9. 2-(r)-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine

10. Seliciclib (roscovitine)

11. Roscovitine (seliciclib,cyc202)

12. (r)-2-((6-(benzylamino)-9-isopropyl-9h-purin-2-yl)amino)butan-1-ol

13. Nsc-701554

14. Al-39256

15. Chembl14762

16. 0es1c2kq94

17. Chebi:45307

18. (2r)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol

19. Nsc701554

20. (2r)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol

21. (2r)-2-((6-benzylamino-9-(propan-2-yl)-9h-purin-2-yl)amino)butan-1-ol

22. (2r)-2-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}butan-1-ol

23. Rrc

24. Rosco

25. (2r)-2-{[6-(benzylamino)-9-(1-methylethyl)-9h-purin-2-yl]amino}butan-1-ol

26. (2r)-2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9h-purin-2-yl]amino]-1-butanol

27. Nsc 701554

28. Unii-0es1c2kq94

29. 2-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine

30. Bmk1-e12

31. 1unl

32. 3ddq

33. (2r)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9h-purin-2-yl)amino)-1-butanol

34. 1-butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9h-purin-2-yl)amino)-, (2r)-

35. 1-butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9h-purin-2-yl]amino]-, (2r)-

36. Mfcd02266401

37. 2a4l

38. Seliciclib [mi]

39. Biomolki_000048

40. 1-butanol, (2r)-

41. Roscovitine(seliciclib)

42. Biomolki2_000054

43. M02443

44. Seliciclib [who-dd]

45. Cbiol_002016

46. Lopac0_001102

47. Schembl94728

48. Bspbio_001078

49. Kbiogr_000418

50. Kbioss_000418

51. Mls006011028

52. Bdbm7533

53. Cid_160355

54. Gtpl6035

55. Roscovitine, >=98% (tlc)

56. Bcbcmap01_000013

57. Kbio2_000418

58. Kbio2_002986

59. Kbio2_005554

60. Kbio3_000795

61. Kbio3_000796

62. Dtxsid20171928

63. Ex-a052

64. Bcpp000087

65. Bio1_000302

66. Bio1_000791

67. Bio1_001280

68. Bio2_000379

69. Bio2_000859

70. Cc205

71. Hms1362f19

72. Hms1792f19

73. Hms1990f19

74. Hms3229n13

75. Hms3403f19

76. Amy10845

77. Bcp01760

78. Roscovitine (seliciclib, Cyc202)

79. Zinc1649340

80. Hsci1_000092

81. Nsc800881

82. S1153

83. Akos005146319

84. Ac-2416

85. Ccg-100652

86. Db06195

87. Nsc-800881

88. Idi1_002134

89. Roscovitine - Cas 186692-46-6

90. Smp1_000266

91. 2,6,9-trisubstituted Purine Deriv. 28

92. Ncgc00094374-01

93. Ncgc00094374-02

94. Ncgc00094374-03

95. Ncgc00094374-04

96. Ncgc00094374-05

97. Ncgc00094374-13

98. Ncgc00094374-15

99. As-56277

100. Hy-30237

101. Nci60_036420

102. Smr004702823

103. Sw220195-1

104. K00020

105. 692r466

106. A813074

107. J-011999

108. J-524224

109. Q3494619

110. Brd-k07691486-001-03-1

111. Brd-k07691486-001-05-6

112. (2r)-2-[[6-(benzylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

113. (2r)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol

114. (2r)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

115. (r)-2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9h-purin-2-yl)amino)-1-butanol

116. 1-butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9h-purin-2-yl)amino)-, (r)-

117. 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]- 9h-purin-2-yl]amino]-(r)-1-butanol

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 354.4 g/mol
Molecular Formula C19H26N6O
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass354.21680947 g/mol
Monoisotopic Mass354.21680947 g/mol
Topological Polar Surface Area87.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in breast cancer, lung cancer, lymphoma (unspecified), multiple myeloma, leukemia (lymphoid), and cancer/tumors (unspecified).


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Antiviral Agents

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)


Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


ABOUT THIS PAGE

Looking for 186692-46-6 / Seliciclib API manufacturers, exporters & distributors?

Seliciclib manufacturers, exporters & distributors 1

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Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Seliciclib manufacturer or Seliciclib supplier.

PharmaCompass also assists you with knowing the Seliciclib API Price utilized in the formulation of products. Seliciclib API Price is not always fixed or binding as the Seliciclib Price is obtained through a variety of data sources. The Seliciclib Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Seliciclib

Synonyms

Roscovitine, 186692-46-6, R-roscovitine, (r)-roscovitine, Cyc202, Cyc-202

Cas Number

186692-46-6

Unique Ingredient Identifier (UNII)

0ES1C2KQ94

About Seliciclib

A purine derivative and competitive inhibitor of CYCLIN-DEPENDENT KINASES that has therapeutic potential as an antineoplastic and antiviral agent.

Seliciclib Manufacturers

A Seliciclib manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Seliciclib, including repackagers and relabelers. The FDA regulates Seliciclib manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Seliciclib API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Seliciclib Suppliers

A Seliciclib supplier is an individual or a company that provides Seliciclib active pharmaceutical ingredient (API) or Seliciclib finished formulations upon request. The Seliciclib suppliers may include Seliciclib API manufacturers, exporters, distributors and traders.

Seliciclib GMP

Seliciclib Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Seliciclib GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Seliciclib GMP manufacturer or Seliciclib GMP API supplier for your needs.

Seliciclib CoA

A Seliciclib CoA (Certificate of Analysis) is a formal document that attests to Seliciclib's compliance with Seliciclib specifications and serves as a tool for batch-level quality control.

Seliciclib CoA mostly includes findings from lab analyses of a specific batch. For each Seliciclib CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Seliciclib may be tested according to a variety of international standards, such as European Pharmacopoeia (Seliciclib EP), Seliciclib JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Seliciclib USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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