MRTX-282

CAT: 0013-GTR19154551Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19154551Size:5 mg

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Description

MRTX-282 is a novel KRas G12D inhibitor.

CAS Number

2621929-00-6

Purity

>98%

Smiles

C1=C2C (C (F) =CC=C2) =C (C2N=CC3=C (N4CC5NC (CC5) C4) N=C (OC[C@]45C[C@@H] (F) CN4CCC5) N=C3C=2F) C=C1O

Molecular Formula

C31H31F3N6O2

Molecular Weight

576.61

Notes

For research use only.

Chemical Information

Mirati-282

CAS Number	2621929-00-6
PubChem CID	156124725
IUPAC Name	4-[4-(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-fluoronaphthalen-2-ol
Molecular Formula	C31H31F3N6O2
Molecular Weight	576.6
XLogP	4.9
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	42
Formal Charge	0
Complexity	973

SMILES

C1C[C@]2(C[C@H](CN2C1)F)COC3=NC4=C(C(=NC=C4C(=N3)N5CC6CCC(C5)N6)C7=C8C(=CC(=C7)O)C=CC=C8F)F

InChI

InChI=1S/C31H31F3N6O2/c32-18-11-31(7-2-8-40(31)13-18)16-42-30-37-28-23(29(38-30)39-14-19-5-6-20(15-39)36-19)12-35-27(26(28)34)22-10-21(41)9-17-3-1-4-24(33)25(17)22/h1,3-4,9-10,12,18-20,36,41H,2,5-8,11,13-16H2/t18-,19?,20?,31+/m1/s1

InChIKey

XISBTJJGCSIRJY-RMIANRRMSA-N

Chemical Structure

2D Structure

CAS: 2621929-00-6

CID: 156124725

Formula: C31H31F3N6O2

MW: 576.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	576.6
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	576.24605874
Monoisotopic Mass	576.24605874
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	973
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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