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Ras modulator-1

CAT: 0804-HY-148878Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-148878Size:1 Each
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Description
Ras modulator-1 is a modulator of Ras. Ras modulator-1 is an active compound extracted from patent US20120302581[1].
CAS Number
623935-08-0
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Ras
Type
Reference compound
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ras-modulator-1.html
Solubility
10 mM in DMSO
Smiles
O=C1/C(SC2=NC(C3=CC=C(OC)C=C3)=NN21)=C/C4=CN(C5=CC=CC=C5)N=C4C6=CC7=C(OCCO7)C=C6
Molecular Formula
C29H21N5O4S
Molecular Weight
535.57
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
[1]Ratner, Nancy, et al. Methods and Compositions for the Treatment of RAS Associated Disorders. US20120302581. 2012.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5Z)-5-((3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)M ethylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-ON E
CAS Number623935-08-0
PubChem CID5916758
IUPAC Name(5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Molecular FormulaC29H21N5O4S
Molecular Weight535.6
XLogP5.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity910
SMILES
COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC6=C(C=C5)OCCO6)C7=CC=CC=C7)/SC3=N2
InChI
InChI=1S/C29H21N5O4S/c1-36-22-10-7-18(8-11-22)27-30-29-34(32-27)28(35)25(39-29)16-20-17-33(21-5-3-2-4-6-21)31-26(20)19-9-12-23-24(15-19)38-14-13-37-23/h2-12,15-17H,13-14H2,1H3/b25-16-
InChIKey
OXQCWJGNSPOWLN-XYGWBWBKSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-5-((3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)M ethylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-ON E
CAS: 623935-08-0
CID: 5916758
Formula: C29H21N5O4S
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass535.13142534
Monoisotopic Mass535.13142534
Topological Polar Surface Area119 Ų
Heavy Atom Count39
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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