165049-28-5 (N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐,N-4-2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo2,3-dpyrimidin-5-yl)ethylbenzoyl-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate)

CAS号:
165049-28-5
中文名称:
N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐
英文名称:
N-4-2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo2,3-dpyrimidin-5-yl)ethylbenzoyl-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate
分子式:
C31H37N5O9S
分子量:
655.718586683273

N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(165049-28-5)名称与标识符

名称

中文别名:
N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐;(S)-2-叠氮苯乙酸乙酯;(S)-二乙基 2-(4-(2-(2-氨基-4-羰基-4,7-二氢-3H-吡咯并[2,3-d]嘧啶-5-基)乙基)苯甲酰胺基)戊烷二酸酯 4-甲基苯磺酸酯;N-(4-[2-(2-氨基-4,7-二氢-4-氧-1H-吡咯[2,3-D]嘧啶-5-基)乙基]苯甲酰)-L-谷氨酸二乙酯对甲苯磺酸盐;N-(4-[2-(氨基-4,7-二氢-4-氧-1H-吡咯[2,3-D]嘧啶-5-基)乙基]苯甲酰)-L-谷氨酸二乙酯对甲苯磺酸盐;N-[4-[2-(2-氨基-4,7-二氢-4-氧-1H-吡咯[2,3-D]嘧啶-5-基)乙基];N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对***磺酸盐;培美曲塞二钠中间体;培美曲塞二钠中间体五;N-(4-[2-(2-氨基-4,7-二氢-4-氧-3H-吡咯[2,3-d]嘧啶-5-基)乙基]苯甲酰)-L-谷氨酸二乙酯对甲苯磺酸盐;培美曲塞二钠中间体2;N-(4-[2-(2-氨基-4,7-二氢-4-氧-1H-吡咯[2,3-D]嘧啶-5-基)乙基]苯甲酰)-L-谷氨酸二乙;N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-D]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(培美曲塞二钠中间体);培美曲塞二钠中间体五 N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-D]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐;N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-D]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(培美曲塞二钠中间体V);
英文别名:
(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbenzenesulfonate;N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1;(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate 4-methylbe...;diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate,4-methylbenzenesulfonic acid;N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Diethyl Ester 4-M...;N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate;N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid, 1,5-diethyl ester, 4-methylbenzenesulfonate (1:1);D-Pemetrexed Dimethyl Diester;pemetrexed dimethyl ester;Pemetrexed Methyl Ester;PeMetrexed disodiuM INT-5;pentanedioate 4-methylbenzenesulfonate;-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl);(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido;N-[4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoyl]L-glutaMic acid;(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pe;(2S)-2-{[4-(2-{2-aMino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyriMidin-5-yl}ethyl)phenyl]forMaMido}pentanedioic acid;Pemetrexed diethyl ester tosylate;CS-0151537;4-Methylbenzene-1-sulfonic acid--diethyl N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate (1/1);AC-8121;A24994;165049-28-5;UANBXQTVHOIGGQ-LMOVPXPDSA-N;L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, 1,5-diethyl ester, 4-methylbenzenesulfonate (1:1);D70577;DS-16382;C31H37N5O9S;4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl-L-glutamic acid diethyl ester p-toluenesulfonate salt;diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;4-methylbenzenesulfonic acid;SCHEMBL207059;AKOS015896978;L-Glutamic acid, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(4-methylbenzenesulfonate);MFCD12911689;AC5W4UN7ET;N-(4-[2-(2-Amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl)-L-Glutamic Acid Diethyl Ester p-Toluenesulfonic Acid Salt;N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid diethylester p-toluenesulfonic acid salt;n-(4-(2-(2-amino-4,7-dihydro-4-oxo-3h-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-l-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate;BCP09339;(S)-Diethyl2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate4-methylbenzenesulfonate;N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid diethylester p-toluenesulfonic acid salt;DTXSID80704872;benzamido);L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-, diethyl ester, mono(4-methylbenzenesulfonate);1,5-DIETHYL (2S)-2-{[4-(2-{2-AMINO-4-OXO-1H,7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}ETHYL)PHENYL]FORMAMIDO}PENTANEDIOATE; PARA-TOLUENE SULFONATE;

标识符

MDL:
MFCD12911689
InChIKey:
UANBXQTVHOIGGQ-LMOVPXPDSA-N
Inchi:
1S/C24H29N5O6.C7H8O3S/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32);2-5H,1H3,(H,8,9,10)/t17-;/m0./s1
SMILES:
S(C1C=CC(C)=CC=1)(=O)(=O)O.O(CC)C([C@H](CCC(=O)OCC)NC(C1C=CC(=CC=1)CCC1=CNC2=C1C(NC(N)=N2)=O)=O)=O

N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(165049-28-5)物化性质

实验特性

  • LogP : 4.91800
  • PSA : 232.01000
  • 颜色与性状 : Powder

计算特性

  • 精确分子量 : 655.23100
  • 氢键供体数量 : 6
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 15
  • 同位素质量 : 655.23119895g/mol
  • 重原子数量 : 46
  • 复杂度 : 1020
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 228Ų

N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(165049-28-5)安全信息

N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(165049-28-5)海关数据

海关编码:
2942000000
海关数据:

中国海关编码:

2942000000

N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(165049-28-5)推荐厂家 更多厂家(44)

N-[4-[2-(2-氨基-4,7-二氢-4-氧代-1H-吡咯并[2,3-d]嘧啶-5-基)乙基]苯甲酰]-L-谷氨酸二乙酯对甲苯磺酸盐(165049-28-5)参考资料

Reaxys RN:
PubChem CID: