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JI-101

JI-101 structure

CAS No:
900573-88-8
Formula:
C22H20BrN5O2
Chemical Name:
JI-101
Synonyms:
JI-101;CGI 1842;1-[1-[(2-Aminopyridin-4-yl)methyl]-1H-indol-4-yl]-3-(5-bromo-2-methoxyphenyl)urea;CS-2268;JI101;JI 101;Urea, N-[1-[(2-amino-4-pyridinyl)methyl]-1H-indol-4-yl]-N'-(5-bromo-2-methoxyphenyl)-;Pazopanib Impurity 66
Categories:
Specialty Chemicals

Description

JI-101 has been used in trials studying the treatment of Cancer, Colon Cancer, Neuroendocrine, Ovarian Cancer, and Advanced Solid Tumors.|Angiogenesis Inhibitor JI-101 is an orally active inhibitor of vascular endothelial growth factor receptor 2 (VEGFR2), platelet-derived growth factor receptor beta (PDGFRb), and the ephrin B4 receptor B4 (EphB4) with potential antiangiogenic and antineoplastic activities. Angiogenesis inhibitor JI-101 binds to and inhibits VEGFR2, PDGFRb and EphB4, which may inhibit tumor angiogenesis and, so, cellular proliferation in tumor cells overexpressing VEGFR2, PDGFRb and EphB4. The receptor tyrosine kinases VEGFR2, PDGFRb and EphB4 may be overexpressed in a number of different cancer cell types and may play crucial roles in tumor angiogenesis.

JI-101 Basic Attributes

Molecular Weight：

466.33

Exact Mass：

465.08004

EC Number：

604-604-1

UNII：

980M4N37DH

NCI Thesaurus Code：

C82413

Characteristics

PSA：

98.42000

XLogP3：

5.09860

Density：

1.50±0.1 g/cm3

Boiling Point：

606.9±55.0 °C(Predicted)

PKA：

13.25±0.70

Drug Information

MeSH Entry Terms：

1-(1-(2-amino-pyridin-4-ylmethyl)-1H-indol-4-yl)-3-(5-bromo-2-methoxyphenyl)urea

Computed Properties

Molecular Weight:466.3
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:465.08004
Monoisotopic Mass:465.08004
Topological Polar Surface Area:94.2
Heavy Atom Count:30
Complexity:582
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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JI-101

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CAS No.: 900573-88-8

Content: 98%

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