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
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
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C25H25N8O8PS |
| Molecular Weight | 628.554 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:42:29 GMT 2023
by
admin
on
Sat Dec 16 11:42:29 GMT 2023
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| Record UNII |
Y2H4S74Y8U
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| Record Status |
Validated (UNII)
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| Record Version |
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Common Name | English |
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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
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PRIMARY | |||
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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
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NO STRUCTURE GIVEN | |||
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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
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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
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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
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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
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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) | ||
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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
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Originator: ArQule; Class: Antineoplastic, Imidazole, Oxazole, Piperidine, Pyrazole, Pyrimidine, Small molecule; Mechanism of Action: Proto oncogene protein b raf inhibitor, Vascular endothelial growth factor A inhibitor; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Discontinued for Solid tumours; Most Recent Events: 31 Mar 2014 Discontinued - Phase-I for Solid tumours (late-stage disease) in Italy before March 2014 (Oral), 31 Mar 2014 Discontinued - Phase-I for Solid tumours (late-stage disease) in USA before March 2014 (Oral), 01 Mar 2013 ArQule completes a phase I trial for Solid tumours (late-stage disease) in USA and Italy (NCT01225536)
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