Name: MMC(TMZ)-TOC TFA
Rating: 5 (10 reviews)

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HIT ID:HIT219250651
Cas No:
常用名:MMC(TMZ)-TOC TFA
IUPAC:2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-2-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7-(carboxymethyl)-10-[3-({3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazin-8-yl}formamido)propanoyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid; trifluoroacetic acid
IUPAC:2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-2-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7-(carboxymethyl)-10-[3-({3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazin-8-yl}formamido)propanoyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid; trifluoroacetic acid
InChI key:BTXTUMGZEQRMRN-KDQPXFAVSA-N

分子式:C74H99F3N20O21S2
分子量:1725.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CCN(CC(O)=O)CC2)C(=O)CCNC(=O)c2ncn3c2nnn(C)c3=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
SMILES:OC(=O)C(F)(F)F.C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CCN(CC(O)=O)CC2)C(=O)CCNC(=O)c2ncn3c2nnn(C)c3=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

MMC(TMZ)-TOC TFA 对生长抑素受体亚型 2 (SSTR2) 展现出卓越的结合亲和力及选择性，具有靶向将 TMZ 递送至 SSTR2 阳性肿瘤细胞的能力。该化合物适用于癌症研究。

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