COA
No files available
NMR
No files available
Primary record
Zoldonrasib
- CAS
- 2922732-54-3
- Stock
- 7484g
- Purity
- 99.0%
- PubChem CID
- 168201327
- SMILES
- C[C@@H](C1=C(C=C(C=N1)N2CCN(CC2)C3CC3)C4=C5CC(COC(=O)[C@@H]6CCCN(N6)C(=O)[C@H](C[C@H]7CN(CCO7)C8=CC5=C(N4CC(F)(F)F)C=C8)NC(=O)[C@H](C9CCCC9)N1CC[C@@]2(C1)CCN(C2)C(=O)[C@H]1[C@H](N1C)C1CC1)(C)C)OC
- Molecular Formula
- C63H88F3N11O7
- Molecular Weight
- 1168.461
- Exact Mass
- 1167.682
- InChI
- InChI=1S/C63H88F3N11O7/c1-39(82-5)52-47(30-44(33-67-52)72-25-23-71(24-26-72)42-14-15-42)55-48-32-61(2,3)38-84-60(81)49-11-8-20-77(69-49)58(79)50(31-45-34-73(27-28-83-45)43-16-17-51(46(48)29-43)76(55)37-63(64,65)66)68-57(78)54(40-9-6-7-10-40)74-21-18-62(35-74)19-22-75(36-62)59(80)56-53(70(56)4)41-12-13-41/h16-17,29-30,33,39-42,45,49-50,53-54,56,69H,6-15,18-28,31-32,34-38H2,1-5H3,(H,68,78)/t39-,45-,49-,50-,53+,54-,56+,62-,70?/m0/s1
- InChIKey
- VKNNQJWNUPSOEK-VCAAAJMFSA-N
- LogP
- 6.5344
- TPSA
- 160.3
Names and synonyms
- Zoldonrasib
- KRAS G12D inhibitor 18
- zoldonrasib [INN]
- RMC-9805
- XJ52BWK3XE
- RefChem:1101199
- ZOLDONRASIB [USAN]
- RMC9805
- 2922732-54-3
- orb1944618
- SCHEMBL26348957
- GTPL13482
- RMC 9805 [WHO-DD]
- EX-A8179
- RMC 9805
- RMI-5921
- NSC856258
- AT45104
- NSC-856258
- AC-38191
- DA-54679
- Example A26 [WO2023060253A1]
- HY-156819
- CS-0897768
- A1248697
- 3034802-05-3
- (2S)-2-Cyclopentyl-2-((S)-7-((2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl)-N-((22S,63S,4S)-12-(5-(4-cyclopropylpiperazin-1-yl)-2-((S)-1-methoxyethyl)pyridin-3-yl)-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethyl)-61,62,63,64,65,66-hexahydro-11H-8-oxa-2(4,2)-morpholina-1(5,3)-indola-6(1,3)-pyridazinacycloundecaphane-4-yl)acetamide
- (2S)-2-cyclopentyl-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(12M,22S,4S,63S)-12-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethyl)-11H-8-oxa-1(5,3)-indola-2(4,2)-morpholina-6(1,3)-[1,2]diazinanacycloundecaphan-4-yl]acetamide
- 2,7-Diazaspiro[4.4]nonane-2-acetamide, alpha-cyclopentyl-7-[[(2R,3R)-3-cyclopropyl-1-methyl-2-aziridinyl]carbonyl]-N-[(1R,10S,12S,18S)-1-[5-(4-cyclopropyl-1-piperazinyl)-2-[(1S)-1-methoxyethyl]-3-pyridinyl]-2,7,8,10,11,12,13,16,17,18,19,21,22,23-tetradecahydro-22,22-dimethyl-13,19-dioxo-2-(2,2,2-trifluoroethyl)-15H-3,5-etheno14,18-imino-6,10-methano-6H-pyrrolo[3,4-g][1,12,4,18]dioxadiazacyclodocosin-12-yl]-, (alphaS,5S)-