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Chemistry

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Also known as: Icec0942, Ct7001, Icec-0942, 1805833-75-3, Icec0942 free base, Ct-7001
Molecular Formula
C22H30N6O
Molecular Weight
394.5  g/mol
InChI Key
YCVGLKWJKIKVBI-MJGOQNOKSA-N
FDA UNII
46D4HS9ODA

Samuraciclib
Samuraciclib is an orally available, selective inhibitor of cyclin-dependent kinase 7 (CDK7) with potential antineoplastic activity. Upon oral administration, samuraciclib selectively and competitively binds to the CDK7 ATP binding site, thereby inhibiting CDK7-mediated signaling. CDK7, a serine/threonine kinase, plays a role in controlling cell cycle progression, transcriptional regulation, and promotes the expression of key oncogenes such as c-Myc through the phosphorylation of RNA polymerase II. Inhibition of CDK7 may inhibit tumor cell proliferation in certain cancers that are dependent on CDK7-mediated transcriptional regulation and signaling.
1 2D Structure

Samuraciclib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4R)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
2.1.2 InChI
InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1
2.1.3 InChI Key
YCVGLKWJKIKVBI-MJGOQNOKSA-N
2.1.4 Canonical SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCC4CCNCC4O
2.1.5 Isomeric SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NC[C@H]4CCNC[C@@H]4O
2.2 Other Identifiers
2.2.1 UNII
46D4HS9ODA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Icec0942

2. Ct7001

3. Icec-0942

4. 1805833-75-3

5. Icec0942 Free Base

6. Ct-7001

7. 46d4hs9oda

8. 1805833-75-3 (free Base)

9. Samuraciclib Hcl

10. (3~{r},4~{r})-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

11. (3r,4r)-4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

12. 3-piperidinol, 4-(((3-(1-methylethyl)-7-((phenylmethyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)amino)methyl)-, (3r,4r)-

13. (3r,4r)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

14. 3-piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, (3r,4r)-

15. Samuraciclib Di-hcl

16. Ct7001 Di-hcl

17. Samuraciclib [inn]

18. Unii-46d4hs9oda

19. Ct-7001 Di-hcl

20. Ct7001 Hcl

21. Samuraciclib [who-dd]

22. Ct-7001 Hcl

23. Gtpl9903

24. Ppda-001

25. Chembl4297488

26. Schembl17032274

27. Ex-a3445

28. Bdbm50526797

29. Mfcd32638713

30. Nsc832261

31. Nsc835588

32. Nsc-832261

33. Nsc-835588

34. Hy-103712

35. (3r,4r)-4-(((7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-ol

36. (3r,4r)-4-((7-(benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-ylamino)methyl)piperidin-3-ol Dihydrochloride

37. (3r,4r)-4-({[7-(benzylamino)-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}methyl)piperidin-3-ol

38. 3-piperidinol,4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-,(3r,4r)-

2.4 Create Date
2015-09-08
3 Chemical and Physical Properties
Molecular Weight 394.5 g/mol
Molecular Formula C22H30N6O
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass394.24810960 g/mol
Monoisotopic Mass394.24810960 g/mol
Topological Polar Surface Area86.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Samuraciclib Manufacturers

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

Samuraciclib Suppliers

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

Samuraciclib GMP

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

Samuraciclib CoA

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

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

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