CP-31398

COC1=CC=C(\C=C\C2=NC3=CC=CC=C3C(NCCCN(C)C)=N2)C=C1

InChIKey=NIHSNFSFDGHHRG-SDNWHVSQSA-N

InChI=1S/C22H26N4O/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25)/b14-11+

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Condition	Potency
p53 signaling pathway 5 Target ID: map04115 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10617466\|https://www.ncbi.nlm.nih.gov/pubmed/14614447\|https://www.ncbi.nlm.nih.gov/pubmed/26693057\|https://www.ncbi.nlm.nih.gov/pubmed/26250460	Modulator 828
Transcriptional repressor protein YY1 1 Target ID: P25490 Gene ID: 7528.0 Gene Symbol: YY1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/30755813	Binding Agent 1064

PubMed

Title	Date	PubMed
Acridine derivatives activate p53 and induce tumor cell death through Bax.	2005 Aug	16177561
p53-Reactivating small molecules induce apoptosis and enhance chemotherapeutic cytotoxicity in head and neck squamous cell carcinoma.	2011 Jan	21109480
Subchronic oral toxicity and metabolite profiling of the p53 stabilizing agent, CP-31398, in rats and dogs.	2011 Nov 18	21864638

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:05:46 GMT 2023` Edited by `admin` on `Sat Dec 16 11:05:46 GMT 2023`
Record UNII	IN3WH41H3A
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

CP-31398

Common Name

English

1,3-PROPANEDIAMINE, N3-(2-(2-(4-METHOXYPHENYL)ETHENYL)-4-QUINAZOLINYL)-N1,N1-DIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101128317

Created by admin on Sat Dec 16 11:05:46 GMT 2023 , Edited by admin on Sat Dec 16 11:05:46 GMT 2023

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FDA UNII

IN3WH41H3A

Created by admin on Sat Dec 16 11:05:46 GMT 2023 , Edited by admin on Sat Dec 16 11:05:46 GMT 2023

PRIMARY

CAS

259199-65-0

Created by admin on Sat Dec 16 11:05:46 GMT 2023 , Edited by admin on Sat Dec 16 11:05:46 GMT 2023

PRIMARY

PUBCHEM

9950868

Created by admin on Sat Dec 16 11:05:46 GMT 2023 , Edited by admin on Sat Dec 16 11:05:46 GMT 2023

PRIMARY

Related Record Type Details


					IN3WH41H3A

CP-31398

ACTIVE MOIETY