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Chemistry

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Also known as: Ccs-1477, 2222941-37-7, Inobrodib [inn], Inobrodib [usan], Ccs1477, Bw5qa5gew7
Molecular Formula
C30H32F2N4O3
Molecular Weight
534.6  g/mol
InChI Key
SKDNDJWEBPQKCS-RIQBOWGZSA-N
FDA UNII
BW5QA5GEW7

Inobrodib
Inobrodib is an orally bioavailable, small molecule inhibitor of the highly conserved bromodomains of the histone acetyltransferase (HAT) paralogs, p300 (E1A-associated protein p300; p300 HAT) and CREB binding protein (CBP), with potential antineoplastic activity. Upon oral administration, inobrodib selectively and reversibly binds to the bromodomains of p300 and CBP. This disrupts the acetylation of histones and other proteins and prevents the co-activation of key transcription factors that contribute to tumor progression including the androgen receptor (AR), androgen receptor splice variants (AR-SV), hypoxia-inducible factor 1-alpha (HIF-1-alpha) and Myc proto-oncogene protein (c-Myc). The HAT paralogs p300 and CBP are key transcriptional co-activators that are essential for a multitude of cellular processes and are implicated in the progression and therapeutic resistance of certain cancers.
1 2D Structure

Inobrodib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
2.1.2 InChI
InChI=1S/C30H32F2N4O3/c1-17-29(18(2)39-34-17)19-7-14-26-25(15-19)33-30(36(26)20-8-11-22(38-3)12-9-20)27-5-4-6-28(37)35(27)21-10-13-23(31)24(32)16-21/h7,10,13-16,20,22,27H,4-6,8-9,11-12H2,1-3H3/t20?,22?,27-/m0/s1
2.1.3 InChI Key
SKDNDJWEBPQKCS-RIQBOWGZSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)C4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC
2.1.5 Isomeric SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC
2.2 Other Identifiers
2.2.1 UNII
BW5QA5GEW7
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (6s)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl)piperidin-2-one

2. Ccs-1477

3. Ccs1477

2.3.2 Depositor-Supplied Synonyms

1. Ccs-1477

2. 2222941-37-7

3. Inobrodib [inn]

4. Inobrodib [usan]

5. Ccs1477

6. Bw5qa5gew7

7. Cbp-in-1

8. P300/cbp Bromodomain Inhibitor Ccs1477

9. (s)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-((1r,4s)-4-methoxycyclohexyl)-1h-benzo[d]imidazol-2-yl)piperidin-2-one

10. (s)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-(trans-4-methoxycyclohexyl)-1h-benzo[d]imidazol-2-yl)piperidin-2-one

11. (6s)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one

12. (s)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-((1r,4s)-4-methoxycyclohexyl)-1h-benzo(d)imidazol-2-yl)piperidin-2-one

13. 2-piperidinone, 1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-4-isoxazolyl)-1-(trans-4-methoxycyclohexyl)-1h-benzimidazol-2-yl)-, (6s)-

14. 2-piperidinone, 1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-4-isoxazolyl)-1-(trans-4-methoxycyclohexyl)-1h-benzimidazol-2-yl]-, (6s)-

15. Ccs1477; Inobrodib

16. Unii-bw5qa5gew7

17. Chembl4785363

18. Schembl20094038

19. Schembl21515367

20. Schembl22134021

21. Schembl23433835

22. Ccs-1477 [who-dd]

23. Ex-a3687

24. Nsc818619

25. S9667

26. Who 11833

27. Ccs-1477 (cbp-in-1)

28. Nsc-818619

29. Hy-111784

30. Cs-0091862

31. A930140

32. (6s)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one

33. (6s)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(trans-4-methoxycyclohexyl)-1h-benzimidazol-2-yl]piperidin-2-one

34. (s)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethylisoxazol-4-yl)-1-(4-methoxycyclohexyl)-1h-benzo[d]imidazol-2-yl)piperidin-2-one

35. Jhl

2.4 Create Date
2018-06-23
3 Chemical and Physical Properties
Molecular Weight 534.6 g/mol
Molecular Formula C30H32F2N4O3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass534.24424722 g/mol
Monoisotopic Mass534.24424722 g/mol
Topological Polar Surface Area73.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Inobrodib Manufacturers

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

Inobrodib Suppliers

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

Inobrodib GMP

Inobrodib 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 Inobrodib 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 Inobrodib GMP manufacturer or Inobrodib GMP API supplier for your needs.

Inobrodib CoA

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

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

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