API SUPPLIERS

API Suppliers

0

US DMFs Filed

0

CEP/COS Certifications

0

JDMFs Filed

0

EU WC

0

Listed Suppliers

0

API REF. PRICE (USD / KG)

0

API Market Place

0

INTERMEDIATES

0

DOSSIERS // FDF

USA (Orange Book)

0

Europe

0

Canada

0

Australia

0

South Africa

0

Uploaded Dossiers

0

GLOBAL SALES (USD Million)

U.S. Medicaid

0

Annual Reports

0

FDF Market Place

0

EXCIPIENTS

0

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

0

USFDA Exclusivities

0

DIGITAL CONTENT

Blog #PharmaFlow

0

News

1

REF STANDARD

EDQM

0

USP

0

JP

0

Other Listed Suppliers

0

SERVICES

0

Also known as: Tulmimetostat [inn], Ouq4n85z0b, 1,3-benzodioxole-5-carboxamide, 7-chloro-n-((1,2-dihydro-6-methyl-4-(methylthio)-2-oxo-3-pyridinyl)methyl)-2-(trans-4-(3-methoxy-1-azetidinyl)cyclohexyl)-2,4-dimethyl-, (2r)-, 2567686-02-4, Unii-ouq4n85z0b, Schembl22915712

Molecular Formula

C₂₈H₃₆ClN₃O₅S

Molecular Weight

562.1 g/mol

InChI Key

CAAWBLRXQXMGHV-WOLMIXIISA-N

FDA UNII

OUQ4N85Z0B

Tulmimetostat is an orally available selective inhibitor of the histone lysine methyltransferase (HMT) enhancer of zeste homolog 2 (EZH2), with potential antineoplastic activity. Upon oral administration, tulmimetostat selectively targets, binds to and inhibits the activity of EZH2. Inhibition of EZH2 specifically prevents the methylation of histone H3 on lysine 27 (H3K27). This decrease in histone methylation alters gene expression patterns associated with cancer pathways and results in decreased proliferation of EZH2-expressing cancer cells. EZH2, an HMT class enzyme and the catalytic subunit of the polycomb repressive complex 2 (PRC2), is overexpressed or mutated in a variety of cancer cells and plays a key role in tumor cell proliferation; its expression is correlated with tumor initiation, progression, stem cell self-renewal, migration and angiogenesis.

1 2D Structure

Tulmimetostat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-7-chloro-2-[4-(3-methoxyazetidin-1-yl)cyclohexyl]-2,4-dimethyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

2.1.2 InChI

InChI=1S/C28H36ClN3O5S/c1-15-10-23(38-5)21(27(34)31-15)12-30-26(33)20-11-22(29)25-24(16(20)2)36-28(3,37-25)17-6-8-18(9-7-17)32-13-19(14-32)35-4/h10-11,17-19H,6-9,12-14H2,1-5H3,(H,30,33)(H,31,34)/t17?,18?,28-/m1/s1

2.1.3 InChI Key

CAAWBLRXQXMGHV-WOLMIXIISA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N5CC(C5)OC)Cl)SC

2.1.5 Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)O[C@@](O3)(C)C4CCC(CC4)N5CC(C5)OC)Cl)SC

2.2 Other Identifiers

2.2.1 UNII

OUQ4N85Z0B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Tulmimetostat [inn]

2. Ouq4n85z0b

3. 1,3-benzodioxole-5-carboxamide, 7-chloro-n-((1,2-dihydro-6-methyl-4-(methylthio)-2-oxo-3-pyridinyl)methyl)-2-(trans-4-(3-methoxy-1-azetidinyl)cyclohexyl)-2,4-dimethyl-, (2r)-

4. 2567686-02-4

5. Unii-ouq4n85z0b

6. Schembl22915712

7. Schembl22915728

8. Schembl22922941

9. Cpi0209

10. Cpi-0209 [who-dd]

11. Cpi-0209

12. Hy-145602

13. Cs-0376691

2.4 Create Date

2021-02-21

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₆ClN₃O₅S
Molecular Weight	562.1 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	561.2064201 g/mol
Monoisotopic Mass	561.2064201 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	993
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1