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BI-4732

CAT: 0013-GTR19233355-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233355-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-4732 is a brain-penetrant EGFR tyrosine kinase inhibitor effective against T790M mutations. It is used in preclinical research for studying EGFR-driven cancers, demonstrating antitumor activity in both in vitro assays and in vivo models of non-small cell lung cancer and brain metastases.
CAS Number
2769715-68-4
Product Name Alternative
BI4732, EGFR
Field of Research
Cardiovascular Research, Signal Transduction
Purity
98.88% (May vary between batches)
Solubility
DMSO:4 mg/mL (6.75 mM)
Smiles
CN1C=2C (=C (N=C (C2) N3C=4C (C=N3) =C (C) N=C (C4) C=5C (OC) =CC=NC5) N6[C@@]7 (C[C@] (C6) (OC7) [H]) [H]) N=C1N8C[C@@]9 (N (CC8) CCC9) [H]
Molecular Formula
C32H36N10O2
Molecular Weight
592.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CAS Number2769715-68-4
PubChem CID164514234
IUPAC Name(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
Molecular FormulaC32H36N10O2
Molecular Weight592.7
XLogP3.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
CC1=C2C=NN(C2=CC(=N1)C3=C(C=CN=C3)OC)C4=NC(=C5C(=C4)N(C(=N5)N6CCN7CCC[C@@H]7C6)C)N8C[C@H]9C[C@@H]8CO9
InChI
InChI=1S/C32H36N10O2/c1-19-23-15-34-42(26(23)12-25(35-19)24-14-33-7-6-28(24)43-3)29-13-27-30(31(36-29)41-17-22-11-21(41)18-44-22)37-32(38(27)2)40-10-9-39-8-4-5-20(39)16-40/h6-7,12-15,20-22H,4-5,8-11,16-18H2,1-3H3/t20-,21-,22-/m1/s1
InChIKey
WWLFWVFVYAPDGW-YPAWHYETSA-N
Chemical Structure
2D Structure
2D structure of (1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CAS: 2769715-68-4
CID: 164514234
Formula: C32H36N10O2
MW: 592.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.7
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass592.30227043
Monoisotopic Mass592.30227043
Topological Polar Surface Area102 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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