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RM-018

CAT: 0931-T40269-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T40269-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2641993-55-5
Target
Others, Kras, Ras
Related Pathways
Others, GPCR/G Protein, MAPK
Bioactivity
RM-018 is a powerful tricomplex inhibitor that specifically targets the active state of KRAS G12C. It exhibits unique functional characteristics and possesses the ability to bind and inhibit both KRAS G12C and KRAS G12C/Y96D, potentially overcoming resistance.
Smiles
CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1CCOCC1)-c1cccnc1[C@H](C)OC
Molecular Formula
C56H72N8O8
Molecular Weight
985.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3S)-N-[(2S)-1-[[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-(4-morpholin-4-ylbut-2-ynoyl)pyrrolidine-3-carboxamide
CAS Number2641993-55-5
PubChem CID161776064
IUPAC Name(3S)-N-[(2S)-1-[[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-(4-morpholin-4-ylbut-2-ynoyl)pyrrolidine-3-carboxamide
Molecular FormulaC56H72N8O8
Molecular Weight985.2
XLogP5.8
Topological Polar Surface Area168
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count72
Formal Charge0
Complexity1970
SMILES
CCN1C2=C3C=C(C=C2)C4=CC=CC(=C4)C[C@@H](C(=O)N5CCC[C@H](N5)C(=O)OCC(CC3=C1C6=C(N=CC=C6)[C@H](C)OC)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]7CCN(C7)C(=O)C#CCN8CCOCC8
InChI
InChI=1S/C56H72N8O8/c1-9-63-47-20-19-40-32-43(47)44(51(63)42-16-11-22-57-49(42)37(4)70-8)33-56(5,6)35-72-55(69)45-17-12-24-64(59-45)54(68)46(31-38-14-10-15-39(40)30-38)58-52(66)50(36(2)3)60(7)53(67)41-21-25-62(34-41)48(65)18-13-23-61-26-28-71-29-27-61/h10-11,14-16,19-20,22,30,32,36-37,41,45-46,50,59H,9,12,17,21,23-29,31,33-35H2,1-8H3,(H,58,66)/t37-,41-,45-,46-,50-/m0/s1
InChIKey
KXMPBNBAZLJBDS-GUZCBZAASA-N
Chemical Structure
2D Structure
2D structure of (3S)-N-[(2S)-1-[[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-(4-morpholin-4-ylbut-2-ynoyl)pyrrolidine-3-carboxamide
CAS: 2641993-55-5
CID: 161776064
Formula: C56H72N8O8
MW: 985.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight985.2
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass984.54731128
Monoisotopic Mass984.54731128
Topological Polar Surface Area168 Ų
Heavy Atom Count72
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes