6,8,13-Trihydroxy-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-5,15-dimethyl-3,3a,5,8,9,10,11,13b-octahydro-2H-11,8-(epoxymethano)anthra[2,3-d]furo[3,2-b]pyran-2,7,12-trione | 19879-03-9

分子结构分类

有机化合物 - 苯类化合物 - 蒽

中文名称

——

中文别名

——

英文名称

6,8,13-Trihydroxy-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-5,15-dimethyl-3,3a,5,8,9,10,11,13b-octahydro-2H-11,8-(epoxymethano)anthra[2,3-d]furo[3,2-b]pyran-2,7,12-trione

英文别名

3,17,19-trihydroxy-23-(5-hydroxy-6-methyloxan-2-yl)oxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),3,6(14),16-tetraene-5,9,15-trione

6,8,13-Trihydroxy-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-5,15-dimethyl-3,3a,5,8,9,10,11,13b-octahydro-2H-11,8-(epoxymethano)anthra[2,3-d]furo[3,2-b]pyran-2,7,12-trione化学式

CAS

19879-03-9

化学式

C₂₈H₃₀O₁₂

mdl

——

分子量

558.5

InChiKey

HLNZYALGGXMQQC-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

0.4
重原子数：

40
可旋转键数：

2
环数：

8.0
sp3杂化的碳原子比例：

0.61
拓扑面积：

178
氢给体数：

4
氢受体数：

12

文献信息

Polymorph of granaticin B

申请人：Sloan-Kettering Institute for Cancer Research

公开号：US10314815B2

公开（公告）日：2019-06-11

The present invention provides a crystalline Form A of Compound 1, also referred to as Granaticin B, and pharmaceutically compositions thereof. The present invention also provides methods of treating a microbial infection, or a disease, disorder, or condition associated with abnormal cellular proliferation, using crystalline Form A of Compound 1 or pharmaceutical compositions thereof.

本发明提供了化合物 1 的结晶形式 A（也称为 Granaticin B）及其药物组合物。本发明还提供了使用化合物 1 的结晶形式 A 或其药物组合物治疗微生物感染或与细胞异常增殖相关的疾病、紊乱或病症的方法。
POLYMORPH OF GRANATICIN B

申请人：Sloan-Kettering Institute for Cancer Research

公开号：EP3237066B1

公开（公告）日：2020-10-21
[EN] POLYMORPH OF GRANATICIN B<br/>[FR] POLYMORPHE DE LA GRANATICINE B

申请人：SLOAN KETTERING INST CANCER

公开号：WO2016106326A1

公开（公告）日：2016-06-30

The present invention provides a crystalline Form A of Compound 1, also referred to as Granaticin B, and pharmaceutically compositions thereof. The present invention also provides methods of treating a microbial infection, or a disease, disorder, or condition associated with abnormal cellular proliferation, using crystalline Form A of Compound 1 or pharmaceutical compositions thereof.

同类化合物

齐斯托醌黄决明素马普替林相关物质D 马普替林杂质E(N-甲基马普替林) 马普替林杂质D 马普替林D3 马普替林颜料黄199 颜料黄147 颜料黄123 颜料黄108 颜料红89 颜料红85 颜料红251 颜料红177 颜料紫27 顺式-1-(9-蒽基)-2-硝基乙烯阿美蒽醌阳离子蓝FGL 阳离子蓝3RL 长蠕孢素镁蒽四氢呋喃络合物镁蒽锈色洋地黄醌醇锂钠2-[[4-[[3-[(4-氨基-9,10-二氧代-3-磺基-1-蒽基)氨基]-2,2-二甲基-丙基]氨基]-6-氯-1,3,5-三嗪-2-基]氨基]苯-1,4-二磺酸酯锂胭脂红链蠕孢素铷离子载体I 铝洋红铂(2+)二氯化1-({2-[(2-氨基乙基)氨基]乙基}氨基)蒽-9,10-二酮(1:1) 钾6,11-二氧代-6,11-二氢-1H-蒽并[1,2-d][1,2,3]三唑-4-磺酸酯钠alpha-(丙烯酰氨基)-[4-[[9,10-二氢-4-(异丙基氨基)-9,10-二氧代-1-蒽基]氨基]苯氧基]甲苯磺酸盐钠[[3-[[4-(环己基氨基)-9,10-二氢-9,10-二氧代-1-蒽基]氨基]-1-氧代丙基]氨基]苯磺酸盐钠[3-[[9,10-二氢-4-(异丙基氨基)-9,10-二氧代-1-蒽基]氨基]丁基]苯磺酸盐钠6,11-二氧代-6,11-二氢-1H-蒽并[1,2-d][1,2,3]三唑-4-磺酸酯钠4-({4-[乙酰基(乙基)氨基]苯基}氨基)-1-氨基-9,10-二氧代-9,10-二氢-2-蒽磺酸酯钠2-[(4-氨基-9,10-二氧代-3-磺基-9,10-二氢-1-蒽基)氨基]-4-{[2-(磺基氧基)乙基]磺酰基}苯甲酸酯钠1-氨基-9,10-二氢-4-[[4-(1,1-二甲基乙基)-2-甲基苯基]氨基]-9,10-二氧代蒽-2-磺酸盐钠1-氨基-4-[(3-{[(4-甲基苯基)磺酰基]氨基}苯基)氨基]-9,10-二氧代-9,10-二氢-2-蒽磺酸酯钠1-氨基-4-[(3,4-二甲基苯基)氨基]-9,10-二氧代-9,10-二氢-2-蒽磺酸酯钠1-氨基-4-(1,3-苯并噻唑-2-基硫基)-9,10-二氧代蒽-2-磺酸盐醌茜隐色体醌茜素酸性蓝P-RLS 酸性蓝41 酸性蓝27 酸性蓝127:1 酸性紫48 酸性紫43 酸性兰62

6,8,13-Trihydroxy-9-[(5-hydroxy-6-methyloxan-2-yl)oxy]-5,15-dimethyl-3,3a,5,8,9,10,11,13b-octahydro-2H-11,8-(epoxymethano)anthra[2,3-d]furo[3,2-b]pyran-2,7,12-trione | 19879-03-9

分子结构分类

计算性质

文献信息

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