CAS: 1201903-02-7; 2,5-Dichloro-N-(2-(((R)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborol-2-yl)Butyl)Amino)-2-Oxoethyl)Benzamide

英文名称2,5-Dichloro-N-(2-(((R)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborol-2-yl)Butyl)Amino)-2-Oxoethyl)Benzamide
中文名称2,5-二氯-N-(2-(((R)-3-甲基-1-((3AS,4S,6S,7AR)-3A,5,5-三甲基己氢-4,6-亚甲基苯并[D][1,3,2]硼酸频哪醇酯硼杂环戊-2-基)丁基)氨基)-2-氧乙基)苯甲酰胺
IUPAC名称2,5-dichloro-N-(2-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-2-oxoethyl)benzamide
其它别名Ixazomib Impurity 1; 2,5-Dichloro-N-(2-(((R)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborol-2-Yl)Butyl)Amino)-2-Oxoethyl)Benzamide; 2,5-Dichloro-N-[2-[[(1R)-1-[(3As,4S,6S,7Ar)-Hexahydro-3A,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborol-2-Yl]-3-Methylbutyl]Amino]-2-Oxoethyl]-Benzamide; Benzamide, 2,5-Dichloro-N-[2-[[(1R)-1-[(3As,4S,6S,7Ar)-Hexahydro-3A,5,5-Trimethyl-4,6-Methano-1,3,2-Benzodioxaborol-2-Yl]-3-Methylbutyl]Amino]-2-Oxoethyl]-; Ixazomib Impurity R; Ixazomib Impurity N1; 2,5-Dichloro-N-(2-(((R)-3-Methyl-1-((3As,4S,6S,7Ar)-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborol-2-Yl)Butyl)Amino)-2-Oxoethyl)Benzamide/ Ixazomib Impurity 1; 2,5-Dichloro-N-[2-({(1R)-3-Methyl-1-[(1S,2S,6R,8S)-2,9,9-Trimethyl-3,5-Dioxa-4-Boratricyclo[6.1.1.02,6]Dec-4-Yl]Butyl}Amino)-2-Oxoethyl]Benzamide
CAS编号1201903-02-7
FDA UNII编号:Y4Q5UL8FVU
分子式:C24H33BCl2N2O4分子量:495.26
产品CID: 268188
产品分类Chemistry → Organometallic Reagents → Organoboron | Pharmaceutical Intermediates → Antineoplastics → Ixazomib Citrate related | Organoboron

相似结构搜索
InChIKey: CGUIBVMGUKXODV-OPKBTAHXSA-N
InChI=1S/C24H33BCl2N2O4/c1-13(2)8-20(25-32-19-10-14-9-18(23(14,3)4)24(19,5)33-25)29-21(30)12-28-22(31)16-11-15(26)6-7-17(16)27/h6-7,11,13-14,18-20H,8-10,12H2,1-5H3,(H,28,
计算化学: 氢键受体数*氢键供体数*可旋转键数*

物理性质

沸点602.0±55.0 °C(预测)
密度1.25±0.1 g/cm3(预测)
pKa:12.10±0.46(预测)
溶解性Dichloromethane; Chloroform; Methanol; Ethyl Acetate; DMSO;
外观形态白色固体
储存条件-20°C 冷藏

MSDS等安全信息

上下游产品

(aR,3aS,4S,6S,7aR)-hexahydro-3a,8,8-trimethyl-α-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole-2-methanamine 2,2,2-trifluoroacetate 2-[(2,5-dichlorobenzoyl)amino]acetic acid 2,5-dichlorobenzoyl chloride 2,6]decan-4-yl]butan-1-amine(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amineΝ,Ν',Ν''-[boroxin-2,4,6-triyltris[[(1R)-3-methylbutane-1,1-diyl]imino(2-oxoethane-2,1-diyl)]]tris(2,5-dichlorobenzamide) 2,2'-{2-[(1R)-1-({[(2,5-dichlorobenzoyl)amino]acetyl}amino)-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid Ixazomib

合成工艺路线路线简述

海关参考信息

2903919090-氯苯
2905122000-异丙醇
2905143000-叔丁醇
2905310000-1,2-乙二醇
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-11542283-B2
优先权日:2018-05-28
标题 :Synthesis of peptide borate ester compound and use thereof
发明人：QIN YANRU
权利人:JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO LTD
摘要:Provided are a peptide borate ester compound or a pharmaceutically acceptable salt thereof, a preparation method therefor, and pharmaceutical use thereof. The peptide borate ester compound or pharmaceutically acceptable salt thereof has a structure as shown in Formula (I), and is useful in the preparation of proteasome inhibitors to treat solid tumors and hematoma.

专利号:US-2021214377-A1
优先权日:2018-05-28
标题 :Synthesis of peptide borate ester compound and use thereof

专利号:EP-3805237-A1
优先权日:2018-05-28
标题 :Synthesis and uses of peptide borate ester compound