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Chemistry

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Also known as: Ptc596, 1610964-64-1, Unesbulin, Ptc-596, Bmi1 inhibitor ptc596, Unesbulin [usan]
Molecular Formula
C19H13F5N6
Molecular Weight
420.3  g/mol
InChI Key
TWLWOOPCEXYVBE-UHFFFAOYSA-N
FDA UNII
Z4HZ70S62Q

Unesbulin
Unesbulin is an orally active inhibitor of the polycomb ring finger oncogene BMI1 (B-cell-specific Moloney murine leukemia virus integration site 1), with potential antineoplastic activity. Upon oral administration, unesbulin targets BMI1 expressed by both tumor cells and cancer stem cells (CSCs), and induces hyper-phosphorylation of BMI1 leading to its degradation. This inhibits BMI1-mediated signal transduction pathways and results in a reduction of proliferation of BMI1-expressing tumor cells. BMI1, a key protein in the polycomb repressive complex 1 (PRC1), is overexpressed in certain tumor cell types, and plays a key role in CSC survival, proliferation and resistance to chemotherapeutics; its expression is associated with increased tumor aggressiveness and a poor prognosis.
1 2D Structure

Unesbulin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
2.1.2 InChI
InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)
2.1.3 InChI Key
TWLWOOPCEXYVBE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F
2.2 Other Identifiers
2.2.1 UNII
Z4HZ70S62Q
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-fluoro-2-(6-fluoro-2-methyl-1h-benzo(d)imidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine

2. Ptc596

2.3.2 Depositor-Supplied Synonyms

1. Ptc596

2. 1610964-64-1

3. Unesbulin

4. Ptc-596

5. Bmi1 Inhibitor Ptc596

6. Unesbulin [usan]

7. Z4hz70s62q

8. Ptc 596

9. Polycomb Ring Finger Oncogene Inhibitor Ptc596

10. 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-n-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

11. 5-fluoro-2-(6-fluoro-2-methyl-1h-benzo(d)imidazole-1-yl)-n4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine

12. 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-4,6-pyrimidinediamine

13. 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-[4-(trifluoromethyl)phenyl]-4,6-pyrimidinediamine

14. Unesbulin [inn]

15. Unesbulin [who-dd]

16. Unii-z4hz70s62q

17. Chembl4594353

18. Schembl15741319

19. Bcp33231

20. Ex-a3263

21. Ptc-596; Ptc 596

22. S8820

23. Who 11570

24. Ac-32587

25. Bs-15871

26. Hy-112041

27. Cs-0042474

28. D83695

29. 4,6-pyrimidinediamine, 5-fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-

2.4 Create Date
2014-06-09
3 Chemical and Physical Properties
Molecular Weight 420.3 g/mol
Molecular Formula C19H13F5N6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass420.11218525 g/mol
Monoisotopic Mass420.11218525 g/mol
Topological Polar Surface Area81.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Looking for 1610964-64-1 / Unesbulin API manufacturers, exporters & distributors?

Unesbulin manufacturers, exporters & distributors 1

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

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

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

API | Excipient name

Unesbulin

Synonyms

Ptc596, 1610964-64-1, Ptc-596, Bmi1 inhibitor ptc596, Unesbulin [usan], Z4hz70s62q

Cas Number

1610964-64-1

Unique Ingredient Identifier (UNII)

Z4HZ70S62Q

About Unesbulin

Unesbulin is an orally active inhibitor of the polycomb ring finger oncogene BMI1 (B-cell-specific Moloney murine leukemia virus integration site 1), with potential antineoplastic activity. Upon oral administration, unesbulin targets BMI1 expressed by both tumor cells and cancer stem cells (CSCs), and induces hyper-phosphorylation of BMI1 leading to its degradation. This inhibits BMI1-mediated signal transduction pathways and results in a reduction of proliferation of BMI1-expressing tumor cells. BMI1, a key protein in the polycomb repressive complex 1 (PRC1), is overexpressed in certain tumor cell types, and plays a key role in CSC survival, proliferation and resistance to chemotherapeutics; its expression is associated with increased tumor aggressiveness and a poor prognosis.

PTC-596; PTC 596 Manufacturers

A PTC-596; PTC 596 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of PTC-596; PTC 596, including repackagers and relabelers. The FDA regulates PTC-596; PTC 596 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. PTC-596; PTC 596 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

PTC-596; PTC 596 Suppliers

A PTC-596; PTC 596 supplier is an individual or a company that provides PTC-596; PTC 596 active pharmaceutical ingredient (API) or PTC-596; PTC 596 finished formulations upon request. The PTC-596; PTC 596 suppliers may include PTC-596; PTC 596 API manufacturers, exporters, distributors and traders.

PTC-596; PTC 596 GMP

PTC-596; PTC 596 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 PTC-596; PTC 596 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 PTC-596; PTC 596 GMP manufacturer or PTC-596; PTC 596 GMP API supplier for your needs.

PTC-596; PTC 596 CoA

A PTC-596; PTC 596 CoA (Certificate of Analysis) is a formal document that attests to PTC-596; PTC 596's compliance with PTC-596; PTC 596 specifications and serves as a tool for batch-level quality control.

PTC-596; PTC 596 CoA mostly includes findings from lab analyses of a specific batch. For each PTC-596; PTC 596 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.

PTC-596; PTC 596 may be tested according to a variety of international standards, such as European Pharmacopoeia (PTC-596; PTC 596 EP), PTC-596; PTC 596 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (PTC-596; PTC 596 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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