Primary record
GS-9256
- CAS
- 1001094-46-7
- PubChem CID
- 24823649
- SMILES
- CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OC)C(=C2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6CCCCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)P(=O)(CC8=C(C=CC=C8F)F)O
- Molecular Formula
- C46H56ClF2N6O8PS
- Molecular Weight
- 957.478
- Exact Mass
- 956.3275
- InChI
- InChI=1S/C46H56ClF2N6O8PS/c1-26(2)50-44-52-36(25-65-44)35-21-39(30-18-19-38(61-3)40(47)41(30)51-35)62-29-20-37-42(56)54-46(64(59,60)24-31-32(48)15-11-16-33(31)49)22-27(46)12-7-5-4-6-8-17-34(43(57)55(37)23-29)53-45(58)63-28-13-9-10-14-28/h11,15-16,18-19,21,25-29,34,37H,4-10,12-14,17,20,22-24H2,1-3H3,(H,50,52)(H,53,58)(H,54,56)(H,59,60)/t27-,29-,34+,37+,46+/m1/s1
- InChIKey
- RFGUWOCFYCYEDM-ZOMNBDOOSA-N
- LogP
- 9.5518
- TPSA
- 181.31
Names and synonyms
- GS-9256
- Compound 2
- RefChem:144491
- 8V42Y78HRU
- UNII-8V42Y78HRU
- GS 9256
- D05TKB
- 1001094-46-7
- DTXSID70142946
- GS9256
- orb1737808
- SCHEMBL9987287
- CHEMBL1956820
- DTXCID5065437
- DB12876
- DA-73886
- HY-16593
- CS-0007503
- NS00073469
- J3.033.522H
- Q27271062
- [(1S,4S,6R,14S,18R)-18-[8-Chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-4-yl]-[(2,6-difluorophenyl)methyl]phosphinic acid
- ((1S,4S,6R,14S,18R)-18-(8-chloro-7-methoxy-2-(2-(propan-2-ylamino)-1,3-thiazol-4-yl)quinolin-4-yl)oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo(14.3.0.04,6)nonadecan-4-yl)-((2,6-difluorophenyl)methyl)phosphinic acid
- [(1S,4S,6R,14S,18R)-18-[(8-chloro-7-methoxy-2-{2-[(propan-2-yl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-14-{[(cyclopentyloxy)carbonyl]amino}-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecan-4-yl][(2,6-difluorophenyl)methyl]phosphinic acid
- [(2R,6S,13aR,16aS)-2-[(8-Chloro-7-methoxy-2-{2-[(propan-2-yl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-6-{[(cyclopentyloxy)carbonyl]amino}-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14a(5H)-yl][(2,6-difluorophenyl)methyl]phosphinic acid
- [[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy-(cyclopentoxycarbonylamino)-dioxo-[?]yl]-[(2,6-difluorophenyl)methyl]phosphinic acid
- N-[(3S,11R,13S,16S,18R)-18-[[8-Chloro-7-methoxy-2-[2-(isopropylamino)-4-thiazolyl]-4-quinolinyl]oxy]-13-[[(2,6-difluorophenyl)methyl]hydroxyphosphinyl]-2,15-dioxo-1,14-diazatricyclo[14.3.0.011,13]nonadecane-3-yl]carbamic acid cyclopentyl ester