Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

3 Drugs in Development

3 Drugs in Development

DIGITAL CONTENT

4 NEWS #PharmaBuzz

media
4 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

3DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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 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 Formula	C₂₂H₁₉ClF₃NO₅
Molecular Weight	469.8 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	469.0903849 g/mol
Monoisotopic Mass	469.0903849 g/mol
Topological Polar Surface Area	90.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	750
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)

Drugs in Development

FULL SCREEN VIEW Click here to open all results in a new tab [this preview display 10 results]

Digital Content

Create Content with PharmaCompass, ask us

NEWS #PharmaBuzz

ABOUT THIS PAGE

Find Voruciclib manufacturers, exporters & distributors on PharmaCompass

Voruciclib

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

DEVELOPMENTS

3 Drugs in Development

DIGITAL CONTENT

4 NEWS #PharmaBuzz

ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

3DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

PATENTS & EXCLUSIVITIES

DIGITAL CONTENT

GLOBAL SALES INFORMATION

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

What are you looking for?