CB-300919

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H34ClN7O2
Molecular Weight	584.111
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC2=NC3=C(C=C(CN(CC#C)C4=CC=C(C=C4)C(=O)NCC5=CC=CN=C5)C(Cl)=C3)C(=O)N2C)CC1

InChI

InChIKey=LWTCFUSGPRGUBX-UHFFFAOYSA-N

InChI=1S/C32H34ClN7O2/c1-4-12-40(26-9-7-24(8-10-26)31(41)35-20-23-6-5-11-34-19-23)21-25-17-27-29(18-28(25)33)36-30(38(3)32(27)42)22-39-15-13-37(2)14-16-39/h1,5-11,17-19H,12-16,20-22H2,2-3H3,(H,35,41)

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21080724
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/12166942| DOI: http://dx.doi.org/10.1016/S0959-8049(02)80688-8

CB 300919 is a water-soluble analogue of CB30865. Preclinical data revealed that CB 300919 was a potential therapy for ovarian cancer, what was shown for tumor xenograft mice. CB 300919 is an inhibitor of Nicotinamide phosphoribosyltransferase.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Nicotinamide phosphoribosyltransferase 8 Target ID: CHEMBL1744525 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21080724	Inhibitor 8297		0.23 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Ovarian cancer 157 Sources: http://dx.doi.org/10.1016/S0959-8049(02)80688-8	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
The design and synthesis of water-soluble analogues of CB30865, a quinazolin-4-one-based antitumor agent.	2002 Aug 15	12166942
Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt).	2010 Dec 23	21080724
Chemical proteomics identifies Nampt as the target of CB30865, an orphan cytotoxic compound.	2010 Jun 25	20609415

Patents

Sample Use Guides

In Vivo Use Guide

model mice: single dose: 10 mg/kg/

Route of Administration: Intraperitoneal

In Vitro Use Guide

CB-300919 (MPI-0479626) is a potent cytotoxic compound, with an average TC50 of 0.7 nM in HCT116 (human colon carcinoma) cells.

Name

Type

Language

CB-300919

Common Name

English

BENZAMIDE, 4-(((7-CHLORO-3,4-DIHYDRO-3-METHYL-2-((4-METHYL-1-PIPERAZINYL)METHYL)-4-OXO-6-QUINAZOLINYL)METHYL)-2-PROPYNYLAMINO)-N-(3-PYRIDINYLMETHYL)-

Systematic Name

English

BENZAMIDE, 4-(((7-CHLORO-3,4-DIHYDRO-3-METHYL-2-((4-METHYL-1-PIPERAZINYL)METHYL)-4-OXO-6-QUINAZOLINYL)METHYL)-2-PROPYN-1-YLAMINO)-N-(3-PYRIDINYLMETHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

55I8ETE76Y

Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023

PRIMARY

PUBCHEM

9938280

Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023

PRIMARY

EPA CompTox

DTXSID90183174

Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023

PRIMARY

CAS

289715-28-2

Created by admin on Sat Dec 16 11:08:24 GMT 2023 , Edited by admin on Sat Dec 16 11:08:24 GMT 2023

PRIMARY

ACTIVE MOIETY


					55I8ETE76Y

CB-300919

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21080724Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/12166942| DOI: http://dx.doi.org/10.1016/S0959-8049(02)80688-8

Originator

Approval Year

Targets

Conditions

Approved Use

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21080724
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/12166942| DOI: http://dx.doi.org/10.1016/S0959-8049(02)80688-8