Products for Research Use Only
RegisterLogin

JI-101

CAT: 0127-BUP12152-06Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP12152-06Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
900573-88-8
Synonyms
CGI-1842, JI 101
Purity
=98%
Smiles
COc1ccc(Br)cc1NC(=O)Nc1cccc2n(Cc3ccnc(N)c3)ccc12

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

Related Products

CatalogName
BUP12669-01ULK-101
BUP21020-01ARP 101
BUP01410-01KHS 101
BUP04969-01UCPH-101
BUP03344-01AV-101
BUP14054Sulforhodamine 101
BUP10642-01MG-101
BUP07806-01AVN-101
BUP01489-01UK-101
BUP01190-01KYN-101

Alternative Products

CatalogName
BA8918-5.1JI-101
452851-01JI-​101
A13545-25JI-101 25mg
A13545-1JI-101 1mg
A13545-10JI-101 10mg
A13545-5JI-101 5mg
A13545-100JI-101 100mg
A13545-50JI-101 50mg
A13545-10mM-DJI-101 10mM * 1mL in DMSO
GTR19225390-01Antibiotic JI 20A

Popular Products