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Chemistry

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Also known as: Pu-h71, 873436-91-0, Pu-h 71, Pu h71, Zelavespib, Puh-71
Molecular Formula
C18H21IN6O2S
Molecular Weight
512.4  g/mol
InChI Key
SUPVGFZUWFMATN-UHFFFAOYSA-N
FDA UNII
06IVK87M04

SUPVGFZUWFMATN-UHFFFAOYSA-N
Zelavespib is a purine-based heat shock protein 90 (Hsp90) inhibitor with potential antineoplastic activity. Zelavespib specifically inhibits active Hsp90, thereby inhibiting its chaperone function and promoting the proteasomal degradation of oncogenic signaling proteins involved in tumor cell proliferation and survival. This may result in the inhibition of cellular proliferation in susceptible tumor cell populations. Hsp90, a molecular chaperone protein, is upregulated in a variety of tumor cell types.
1 2D Structure

SUPVGFZUWFMATN-UHFFFAOYSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
2.1.2 InChI
InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
2.1.3 InChI Key
SUPVGFZUWFMATN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
2.2 Other Identifiers
2.2.1 UNII
06IVK87M04
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Pu H71

2. Pu-h71

2.3.2 Depositor-Supplied Synonyms

1. Pu-h71

2. 873436-91-0

3. Pu-h 71

4. Pu H71

5. Zelavespib

6. Puh-71

7. Pu-h-71

8. 8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylamino)propyl)-9h-purin-6-amine

9. Chembl200102

10. Cas#873436-91-0

11. 06ivk87m04

12. 6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-n-(1-methylethyl)-9h-purine-9-propanamine

13. Cas# 873436-91-0

14. 8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9h-purin-6-amine

15. 8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-[3-(isopropylamino)propyl]-9h-purin-6-amine

16. 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine

17. H71

18. Unii-06ivk87m04

19. 2fwz

20. Nsc 750424

21. Zelavespib [inn]

22. Puh71

23. Schembl1857579

24. Pu-h71, D6

25. Dtxsid20236288

26. Ex-a315

27. Hms3653n04

28. Bcp03616

29. Nsc 750424-d6

30. Bdbm50180302

31. Nsc752199

32. S8039

33. Zinc13679213

34. Akos024457431

35. Ccg-269784

36. Cs-0546

37. Db12638

38. Nsc-752199

39. Sb17115

40. Ncgc00371072-06

41. Ac-33112

42. Bs-17694

43. Da-41005

44. Hy-11038

45. Bcp0726000178

46. Ft-0700388

47. Sw220214-1

48. J-690375

49. Brd-k36529613-001-01-8

50. Q27236209

51. 8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine

52. 1-{2-[2-(2-fluoroethyl)-2h-tetrazol-5-yl]ethyl}-3-{5-[3-fluoro-4-(methylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-yl}urea

53. 8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropyl-aminopropyl-d6)adenine (pu-h71-d6)

54. 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(1-methylethyl)amino]propyl}-9h-purin-6-amine

2.4 Create Date
2006-10-13
3 Chemical and Physical Properties
Molecular Weight 512.4 g/mol
Molecular Formula C18H21IN6O2S
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass512.04914 g/mol
Monoisotopic Mass512.04914 g/mol
Topological Polar Surface Area125 Ų
Heavy Atom Count28
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antineoplastic Agents

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


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API | Excipient name

SUPVGFZUWFMATN-UHFFFAOYSA-N

Synonyms

Pu-h71, 873436-91-0, Pu-h 71, Pu h71, Zelavespib, Puh-71

Cas Number

873436-91-0

Unique Ingredient Identifier (UNII)

06IVK87M04

About SUPVGFZUWFMATN-UHFFFAOYSA-N

Zelavespib is a purine-based heat shock protein 90 (Hsp90) inhibitor with potential antineoplastic activity. Zelavespib specifically inhibits active Hsp90, thereby inhibiting its chaperone function and promoting the proteasomal degradation of oncogenic signaling proteins involved in tumor cell proliferation and survival. This may result in the inhibition of cellular proliferation in susceptible tumor cell populations. Hsp90, a molecular chaperone protein, is upregulated in a variety of tumor cell types.

06IVK87M04 Manufacturers

A 06IVK87M04 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of 06IVK87M04, including repackagers and relabelers. The FDA regulates 06IVK87M04 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. 06IVK87M04 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

06IVK87M04 Suppliers

A 06IVK87M04 supplier is an individual or a company that provides 06IVK87M04 active pharmaceutical ingredient (API) or 06IVK87M04 finished formulations upon request. The 06IVK87M04 suppliers may include 06IVK87M04 API manufacturers, exporters, distributors and traders.

06IVK87M04 GMP

06IVK87M04 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 06IVK87M04 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 06IVK87M04 GMP manufacturer or 06IVK87M04 GMP API supplier for your needs.

06IVK87M04 CoA

A 06IVK87M04 CoA (Certificate of Analysis) is a formal document that attests to 06IVK87M04's compliance with 06IVK87M04 specifications and serves as a tool for batch-level quality control.

06IVK87M04 CoA mostly includes findings from lab analyses of a specific batch. For each 06IVK87M04 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.

06IVK87M04 may be tested according to a variety of international standards, such as European Pharmacopoeia (06IVK87M04 EP), 06IVK87M04 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (06IVK87M04 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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