Products for Research Use Only
RegisterLogin

KRAS inhibitor-32

CAT: 0931-T200688-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T200688-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3056974-05-8
Target
Ras
Related Pathways
GPCR/G Protein, MAPK
Bioactivity
KRAS inhibitor-32 (compound 139A) is a KRAS inhibitor utilized in cancer research.
Smiles
C(#N)C=1C=2C3(CN(C3)C=4N=C(N([C@H](C)C5=C(N)N=CC=C5)CC)N=C(OC[C@@]67N(C[C@H](F)C6)CCC7)N4)SCC2SC1N
Molecular Formula
C29H35FN10OS2
Molecular Weight
622.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-amino-1'-[4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-ethylamino]-6-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1,3,5-triazin-2-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile
CAS Number3056974-05-8
PubChem CID172652605
IUPAC Name2-amino-1'-[4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-ethylamino]-6-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1,3,5-triazin-2-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile
Molecular FormulaC29H35FN10OS2
Molecular Weight622.8
XLogP4
Topological Polar Surface Area200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1060
SMILES
CCN(C1=NC(=NC(=N1)N2CC3(C2)C4=C(CS3)SC(=C4C#N)N)OC[C@@]56CCCN5C[C@@H](C6)F)[C@H](C)C7=C(N=CC=C7)N
InChI
InChI=1S/C29H35FN10OS2/c1-3-40(17(2)19-6-4-8-34-23(19)32)26-35-25(36-27(37-26)41-16-28-7-5-9-39(28)12-18(30)10-28)38-14-29(15-38)22-20(11-31)24(33)43-21(22)13-42-29/h4,6,8,17-18H,3,5,7,9-10,12-16,33H2,1-2H3,(H2,32,34)/t17-,18-,28+/m1/s1
InChIKey
DXTIQGQVWHSZDW-AYEUKFJJSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-1'-[4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-ethylamino]-6-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-1,3,5-triazin-2-yl]spiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-3-carbonitrile
CAS: 3056974-05-8
CID: 172652605
Formula: C29H35FN10OS2
MW: 622.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.8
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass622.24207629
Monoisotopic Mass622.24207629
Topological Polar Surface Area200 Ų
Heavy Atom Count43
Formal Charge0
Complexity1060
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

Related Products

CatalogName
T72335-01KRAS G12C inhibitor 32
T200670-01KRAS inhibitor-34
T200470-01KRAS inhibitor-36
T63164-01KRAS inhibitor-13
T62784-01KRAS inhibitor-18
T62737-01KRAS inhibitor-15
T62981-01KRAS inhibitor-17
T206791-01KRAS inhibitor-41
T201259-01KRAS inhibitor-37
T201113-01KRAS inhibitor-38

Alternative Products

CatalogName
GTR19238674-01KRAS inhibitor-32
GTR19212850-01KRAS G12C inhibitor 32
C8497-10KRAS inhibitor-9
HY-162983KRAS inhibitor-36
HY-151288KRAS inhibitor-21
HY-135865KRAS inhibitor-7
HY-176419KRAS inhibitor-42
HY-169312KRAS inhibitor-38
HY-162974KRAS inhibitor-34
HY-159476KRAS inhibitor-26

Popular Products