1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide 基本信息
CAS号 63307-63-1 分子式 C30H40N6O6S
分子量 612.74000 精确质量 　612.27300
PSA 　233.71000 LogP 　4.12870
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
63307-63-1
3D弹球模型：
立即前往扯扯看
分子式：
C30H40N6O6S
分子量：
612.74000
中文名称：
1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
英文名称：
1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
中文别名：
1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
英文别名：
1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide;
H-Tyr-D-Met-Gly-Phe-Pro-NH2;
L-tyrosyl-D-methionyl-glycyl-L-phenylalanyl-L-proline amide;
Tyr-D-Met-Gly-Phe-Pro-NH2
精确分子量/精确质量：
612.27300
极性分子表面积/PSA：
233.71000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: UIRWGVLTPPSGEN-NDBXHCKUSA-N

物化性质展开↓

密度：
1.31g/cm3
沸点：
1065ºC at 760 mmHg
闪点：
597.9ºC
折射率：
1.616

合成路线查看所有的合成路线

  • 69612-72-2

    Boc Tyr D.Met Gly OH

  • →

  • 63307-63-1

    1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

  • 74825-83-5

    Boc-(L)(α-Me)Tyr-OH

  • →

  • 63307-63-1

    1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

  • 82558-39-2

    Boc-L-Tyr-D-Met-OMe

  • →

  • 63307-63-1

    1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TW3583000
CHEMICAL NAME :
L-Prolinamide, L-tyrosyl-D-methionylglycyl-L-phenylalanyl-
CAS REGISTRY NUMBER :
63307-63-1
LAST UPDATED :
199706
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C30-H40-N6-O6-S
MOLECULAR WEIGHT :
612.82

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
510 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - antipsychotic Behavioral - alteration of classical conditioning
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 39,641,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
118 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - antipsychotic Behavioral - alteration of classical conditioning
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 39,641,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1700 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - antipsychotic Behavioral - alteration of classical conditioning
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 39,641,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
278 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - antipsychotic Behavioral - alteration of classical conditioning
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 39,641,1987

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