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SCR-1481B1

CAT: 0804-HY-18711A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18711A-01Size:1 mg
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Description
SCR-1481B1 (Metatinib anhydrous) is a potent compound that has activity against cancers dependent upon Met activation and also has activity against cancers as a VEGFR inhibitor.
CAS Number
1174161-86-4
Product Name Alternative
Metatinib (anhydrous) ; c-Met inhibitor 2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
C-Met/HGFR; VEGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/c-Met-inhibitor-2.html
Concentration
10mM
Purity
99.95
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(C1=CN(COP(O)(O)=O)C=C(C2=CC=C(F)C=C2)C1=O)NC3=CC=C(C(F)=C3)OC4=C(Cl)C(N)=NC=C4.OCC(CO)(CO)N.OCC(CO)(CO)N
Molecular Formula
C32H40ClF2N6O13P
Molecular Weight
821.12
Precautions
H302, H315, H319, H335
References & Citations
[1]Robert M. Borzilleri, et al. 4-pyridinone compounds and their use for cancer. WO/2009094417/A1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
VEGFR1/Flt-1

Chemical Information

c-Met inhibitor 2
CAS Number1174161-86-4
PubChem CID119081412
IUPAC Name[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxo-1-pyridinyl]methyl dihydrogen phosphate;2-amino-2-(hydroxymethyl)propane-1,3-diol
Molecular FormulaC28H29ClF2N5O10P
Molecular Weight700.0
Topological Polar Surface Area251
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity1080
SMILES
C1=CC(=CC=C1C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)COP(=O)(O)O)F.C(C(CO)(CO)N)O
InChI
InChI=1S/C24H18ClF2N4O7P.C4H11NO3/c25-21-20(7-8-29-23(21)28)38-19-6-5-15(9-18(19)27)30-24(33)17-11-31(12-37-39(34,35)36)10-16(22(17)32)13-1-3-14(26)4-2-13;5-4(1-6,2-7)3-8/h1-11H,12H2,(H2,28,29)(H,30,33)(H2,34,35,36);6-8H,1-3,5H2
InChIKey
SDCKZXWUASKHNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Met inhibitor 2
CAS: 1174161-86-4
CID: 119081412
Formula: C28H29ClF2N5O10P
MW: 700.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight700.0
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass699.1308632
Monoisotopic Mass699.1308632
Topological Polar Surface Area251 Ų
Heavy Atom Count47
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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