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JI-101

CAT: 0931-T3476-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T3476-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
900573-88-8
Target
VEGFR, Ephrin Receptor, PDGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9997
Bioactivity
JI-101 (CGI-1842) is an oral multi-kinase inhibitor that targets vascular endothelial growth factor receptor type 2 (VEGFR-2), platelet derived growth factor receptor β (PDGFR-β), and ephrin type-B receptor 4 (EphB4) .
Smiles
COc1ccc(Br)cc1NC(=O)Nc1cccc2n(Cc3ccnc(N)c3)ccc12
Molecular Formula
C22H20BrN5O2
Molecular Weight
466.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ji-101

JI-101 has been used in trials studying the treatment of Cancer, Colon Cancer, Neuroendocrine, Ovarian Cancer, and Advanced Solid Tumors.

CAS Number900573-88-8
PubChem CID11691242
IUPAC Name1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-(5-bromo-2-methoxyphenyl)urea
Molecular FormulaC22H20BrN5O2
Molecular Weight466.3
XLogP3.4
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity582
SMILES
COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)N
InChI
InChI=1S/C22H20BrN5O2/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29)
InChIKey
ZXBFYBLSJMEBEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ji-101
CAS: 900573-88-8
CID: 11691242
Formula: C22H20BrN5O2
MW: 466.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.3
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass465.08004
Monoisotopic Mass465.08004
Topological Polar Surface Area94.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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