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Chemistry

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Also known as: 1000023-04-0, Voruciclib [inn], P1446a-05, W66xp666am, 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2r,3s)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one, Chembl3905910
Molecular Formula
C22H19ClF3NO5
Molecular Weight
469.8  g/mol
InChI Key
MRPGRAKIAJJGMM-OCCSQVGLSA-N
FDA UNII
W66XP666AM

Voruciclib
Voruciclib is a cyclin-dependent kinase (CDK) inhibitor with potential antineoplastic activity. Upon administration, voruciclib selectively inhibits cyclin-dependent kinase 4 (CDK4) and 6 (CDK6). This inhibits retinoblastoma (Rb) protein phosphorylation early in the G1 phase, which prevents CDK-mediated G1-S phase transition and leads to cell cycle arrest. This suppresses DNA replication and decreases tumor cell proliferation. CDK4 and 6 are serine/threonine kinases that are upregulated in many tumor cell types and play a key role in the regulation of cell cycle progression.
1 2D Structure

Voruciclib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
2.1.2 InChI
InChI=1S/C22H19ClF3NO5/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3/t12-,14+/m1/s1
2.1.3 InChI Key
MRPGRAKIAJJGMM-OCCSQVGLSA-N
2.1.4 Canonical SMILES
CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O
2.1.5 Isomeric SMILES
CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O
2.2 Other Identifiers
2.2.1 UNII
W66XP666AM
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-(2-chloro-4-(trifluoromethyl) Phenyl)-5, 7-dihydroxy-8-((2r, 3s)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4h-1-benzopyran-4-one

2.3.2 Depositor-Supplied Synonyms

1. 1000023-04-0

2. Voruciclib [inn]

3. P1446a-05

4. W66xp666am

5. 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2r,3s)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one

6. Chembl3905910

7. 2-(2-chloro-4-(trifluoromethyl)phenyl)-5,7-dihydroxy-8-((2r,3s)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4h-1-benzopyran-4-one

8. 4h-1-benzopyran-4-one, 2-(2-chloro-4-(trifluoromethyl)phenyl)-5,7-dihydroxy-8-((2r,3s)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl)-

9. Unii-w66xp666am

10. Voruciclib [who-dd]

11. Gtpl9923

12. Schembl3108205

13. Ex-a1056

14. Bdbm50193104

15. Nsc784284

16. P1446a

17. Db15157

18. Nsc-784284

19. Ncgc00387877-01

20. Ac-31553

21. As-82346

22. Hy-12422

23. Cs-0011273

24. Q27292377

25. 2-(2-chloro-4-(trifluoromethyl)phenyl)-5,7-dihydroxy-8-((2r,3s)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4h-chromen-4-one

26. 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2r,3s)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-4h-1-benzopyran-4-one

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 469.8 g/mol
Molecular Formula C22H19ClF3NO5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass469.0903849 g/mol
Monoisotopic Mass469.0903849 g/mol
Topological Polar Surface Area90.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
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.)


Protein Kinase Inhibitors

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


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ABOUT THIS PAGE

Voruciclib Manufacturers

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

Voruciclib Suppliers

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

Voruciclib GMP

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

Voruciclib CoA

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

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

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