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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25N8O8PS.2Na
Molecular Weight 674.533
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARQ-736

SMILES

[Na+].[Na+].CN1C=CC(=N1)S(=O)(=O)N2CCC[C@H](C2)NC3=NC=CC(=N3)C4=C(N=C5OC=CN45)C6=CC(OCOP([O-])([O-])=O)=CC=C6

InChI

InChIKey=HXINDCTZKGGRDE-JPKZNVRTSA-L
InChI=1S/C25H27N8O8PS.2Na/c1-31-11-8-21(30-31)43(37,38)32-10-3-5-18(15-32)27-24-26-9-7-20(28-24)23-22(29-25-33(23)12-13-39-25)17-4-2-6-19(14-17)40-16-41-42(34,35)36;;/h2,4,6-9,11-14,18H,3,5,10,15-16H2,1H3,(H,26,27,28)(H2,34,35,36);;/q;2*+1/p-2/t18-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ARQ-736
Code English
METHANOL, 1-(3-(5-(2-(((3R)-1-((1-METHYL-1H-PYRAZOL-3-YL)SULFONYL)-3-PIPERIDINYL)AMINO)-4-PYRIMIDINYL)IMIDAZO(2,1-B)OXAZOL-6-YL)PHENOXY)-, 1-(DIHYDROGEN PHOSPHATE), SODIUM SALT (1:2)
Systematic Name English
ARQ 736 [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
300000041402
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
PRIMARY
CAS
1644503-82-1
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
NO STRUCTURE GIVEN
CAS
1228237-57-7
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
PRIMARY
PUBCHEM
46869123
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545296
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
PRIMARY
NCI_THESAURUS
C94224
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
PRIMARY BRAF inhibitor ARQ 736: An orally bioavailable, highly soluble phosphate prodrug of B-raf (BRAF) protein kinase with potential antineoplastic activity. BRAF inhibitor ARQ 736 is converted into its active form ARQ 680 in the presence of phosphatases. In turn, ARQ 680 selectively binds to and inhibits the activity of oncogenic B-raf, which may inhibit the proliferation of tumor cells expressing mutated B-raf gene. B-raf belongs to the raf/mil family of serine/threonine protein kinases and plays a role in regulating the MAP kinase/ERKs signaling pathway, which may be constitutively activated due to BRAF gene mutations. The valine to glutamic acid substitution at residue 600 (V600E) accounts for about 90% of BRAF gene mutations. Check for active clinical trials using this agent. (NCI Thesaurus)
FDA UNII
Y2H4S74Y8U
Created by admin on Sat Dec 16 11:42:29 GMT 2023 , Edited by admin on Sat Dec 16 11:42:29 GMT 2023
PRIMARY