Products for Research Use Only
RegisterLogin

KRASG12D-IN-5

CAT: 0013-GTR19263619-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19263619-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
KRASG12D-IN-5 (Compound 241) is an orally active KRAS (G12D) inhibitor with an IC50 of 11 nM. It demonstrates potent anticancer activity without significant cytotoxicity to BxPC-3 cells (wild-type), KRAS-mutant AsPC-1 cells (G12D), and MIAPaCa-2 cells (G12C), with CC50 values of 10.37, 0.76, and 0.3 μM, respectively. KRASG12D-IN-5 is applicable in cancer studies, including lung, pancreatic, and colorectal cancers.
CAS Number
2933935-13-6
Field of Research
Signal Transduction
Smiles
C (OC=1N=C (C2=C (N1) C (F) =C (N=C2) C=3C4=C (C=C (O) C3) C=CC (F) =C4C#C) N5CC6 (C (F) F) NC (C5) CC6) [C@@]78N (C[C@H] (F) C7) CCC8
Molecular Formula
C34H31F5N6O2
Molecular Weight
650.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-[1-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
CAS Number2933935-13-6
PubChem CID169862044
IUPAC Name4-[4-[1-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
Molecular FormulaC34H31F5N6O2
Molecular Weight650.6
XLogP5.8
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count47
Formal Charge0
Complexity1210
SMILES
C#CC1=C(C=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)(N6)C(F)F)OC[C@@]78CCCN7C[C@@H](C8)F)O)F
InChI
InChI=1S/C34H31F5N6O2/c1-2-22-25(36)5-4-18-10-21(46)11-23(26(18)22)28-27(37)29-24(13-40-28)30(44-15-20-6-8-34(16-44,43-20)31(38)39)42-32(41-29)47-17-33-7-3-9-45(33)14-19(35)12-33/h1,4-5,10-11,13,19-20,31,43,46H,3,6-9,12,14-17H2/t19-,20?,33+,34?/m1/s1
InChIKey
VQTOJJXYQWYSGJ-RJBRWJMYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[1-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-ol
CAS: 2933935-13-6
CID: 169862044
Formula: C34H31F5N6O2
MW: 650.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass650.24286506
Monoisotopic Mass650.24286506
Topological Polar Surface Area86.6 Ų
Heavy Atom Count47
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19264427-01KRASG12D-IN-7
GTR19263837-01KRASG12D-IN-6
GTR19239280-01KRASG12C IN-13
GTR19274073-01KRASG12C IN-18
GTR19273756-01KRASG12C IN-17
GTR19249524-01KRASG12C IN-16
GTR19249240-01KRASG12C IN-15
GTR19239164-01KRASG12C IN-14
GTR19220603-01KRASG12C IN-2
GTR19274329-01KRASG12C IN-19

Alternative Products

CatalogName
T211223-01KRASG12D-IN-5
PP51334-01KRASG12D peptide
T211449-01KRASG12D-IN-6
HY-157029S-01KRASG12D-IN-1
HY-175529KRASG12D-IN-7
HY-162445-01KRASG12D-IN-3
HY-163488KRASG12D-IN-4
HY-157031S-01KRASG12D-IN-2
T206048-01KRASG12D-IN-3-d3
HLD-H52H7-200ugHuman HLA-A*11:01&B2M&KRASG12D (VVVGADGVGK) Tetramer Protein

Popular Products