Sincalide（CAS号：25126-32-3）

辛卡利特

基本信息

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CAS号

25126-32-3

分子式

C49H62N10O16S3

分子量

1143.29 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

水溶性

Soluble in water 1 g/L at 10°C.

溶解度

0.05 M ammonium hydroxide: 1 mg/mL, clear, colorless

比旋光度

D23 -18.4° (c = 0.7 in 1N NH3)

SMILES

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CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1

InChIKey

IZTQOLKUZKXIRV-YRVFCXMDSA-N

LogP

-1.3294000000000055

拓扑极性表面积

426.7999999999999 Å²

氢键供体/受体

15 / 26

复杂度

2180

同义词与引用数据

英文

MFCD00079849
Cholecystokinin Pancreozymin C-Terminal Octapeptide
SINCALIDE [USP IMPURITY]
(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosane-1,23-dioic acid
DB09142
L-.ALPHA.-ASPARTYL-O-SULFO-L-TYROSYL-L-METHIONYLGLYCYL-L-TRYPTOPHYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-L-PHENYLALANINAMIDE
CHEBI:135946
cholecystokinin C-terminal octapeptide
(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-18-(4-(sulfooxy)benzyl)-4,7,10,13,16,19-hexaazatricosane-1,23-dioic acid
BDBM21147
DTXCID4028543
CAS-25126-32-3
CCK-8(SO3)
Kinevac
L-Aspartyl-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide Hydrogen Sulfate(ester)
Sincalida
D05845
CS-5963
H-Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2
SINCALIDE [USAN]
Sincalide (USAN:USP:INN:BAN)
SQ19844
Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-5-L-methionine-
IZTQOLKUZKXIRV-YRVFCXMDSA-N
SINCALIDE [MART.]
Human CCK-8
Sincalidum
Cholecystokinin-pancreozymin
Sincalidum [INN-Latin]
(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
Sincalida (INN-Spanish)