23668-11-3
中文名稱
Pactamycin
英文名稱
Pactamycin
CAS
23668-11-3
分子式
C28H38N4O8
分子量
558.62
MOL 文件
23668-11-3.mol
更新日期
2024/04/11 12:22:24
23668-11-3 結(jié)構(gòu)式
基本信息
中文別名
密旋霉素帕他霉素
帕塔霉素
化合物 T25914
英文別名
U-15800NSC52947
A 80856F30
Pactamycin
PNU-0015800
2-Hydroxy-6-methylbenzoic acid [[(1S)-5α-(3-acetylphenylamino)-4β-amino-3β-(3,3-dimethylureido)-1β,2α-dihydroxy-3-[(S)-1-hydroxyethyl]-2-methylcyclopentan-1α-yl]methyl] ester
2-Hydroxy-6-methylbenzoic acid [(1S)-5α-[(3-acetylphenyl)amino]-4β-amino-3β-[[(dimethylamino)carbonyl]amino]-1β,2α-dihydroxy-3-[(S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl ester
2-Hydroxy-6-methylbenzoic acid [(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl ester
Benzoic acid, 2-hydroxy-6-methyl-, [(1S,2R,3R,4S,5S)-5-[(3-acetylphenyl)amino]-4-amino-3-[[(dimethylamino)carbonyl]amino]-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl ester
物理化學性質(zhì)
比旋光度D25 +79° (ethanol) changing to +23° on standing; changes in acetone on standing from +25° to +76°
沸點626.7°C (rough estimate)
密度1.2608 (rough estimate)
折射率1.5500 (estimate)
儲存條件2-8°C
溶解度二甲基亞砜：≥12mg/mL
酸度系數(shù)(pKa)8.10±0.35(Predicted)
顏色白色至棕褐色
InChIKeyWVIUOSJLUCTGFK-JUJPXXQGSA-N
SMILESC(OC[C@@]1(O)[C@@H](NC2=CC=CC(C(C)=O)=C2)[C@H](N)[C@@](NC(N(C)C)=O)([C@@H](O)C)[C@]1(O)C)(=O)C1=C(C)C=CC=C1O
安全數(shù)據(jù)
警示詞危險
危險性描述H300-H315-H319-H335
危險品標志T+
危險類別碼28-36/37/38
安全說明26-28-36/37-45
危險品運輸編號UN 2811 6.1 / PGII
毒性LD50 in mice (mg/kg): 10.7 orally; 15.6 i.v.; in rats (mg/kg): 1.4 i.v. (Bhuyan)