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4037-01-8 分子结构
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4-[2-amino-4-(methylsulfanyl)butanamido]-4-({1-[(1-{[4-carbamimidamido-1-({1-[(carboxymethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)butyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl}carbamoyl)butanoic acid

ChemBase编号:103737
分子式:C44H59N13O10S
平均质量:962.08536
单一同位素质量:961.42285615
SMILES和InChIs

SMILES:
CSCCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NCC(=O)O
Canonical SMILES:
CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccccc1)Cc1nc[nH]c1)CCC(=O)O)N
InChI:
InChI=1S/C44H59N13O10S/c1-68-17-15-29(45)38(62)53-32(13-14-36(58)59)41(65)57-35(20-27-22-48-24-52-27)43(67)55-33(18-25-8-3-2-4-9-25)42(66)54-31(12-7-16-49-44(46)47)40(64)56-34(39(63)51-23-37(60)61)19-26-21-50-30-11-6-5-10-28(26)30/h2-6,8-11,21-22,24,29,31-35,50H,7,12-20,23,45H2,1H3,(H,48,52)(H,51,63)(H,53,62)(H,54,66)(H,55,67)(H,56,64)(H,57,65)(H,58,59)(H,60,61)(H4,46,47,49)
InChIKey:
HAAUASBAIUJHAN-UHFFFAOYSA-N

引用这个纪录

CBID:103737 http://www.chembase.cn/molecule-103737.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
4-[2-amino-4-(methylsulfanyl)butanamido]-4-({1-[(1-{[4-carbamimidamido-1-({1-[(carboxymethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)butyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl}carbamoyl)butanoic acid
4-[2-amino-4-(methylsulfanyl)butanamido]-4-({1-[(1-{[4-carbamimidamido-1-({1-[(carboxymethyl)carbamoyl]-2-(1H-indol-3-yl)ethyl}carbamoyl)butyl]carbamoyl}-2-phenylethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl}carbamoyl)butanoic acid
IUPAC传统名
4-[2-amino-4-(methylsulfanyl)butanamido]-4-{[1-({1-[(4-carbamimidamido-1-{[1-(carboxymethylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-(3H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
4-[2-amino-4-(methylsulfanyl)butanamido]-4-{[1-({1-[(4-carbamimidamido-1-{[1-(carboxymethylcarbamoyl)-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
别名
ACTH4-10
Adrenocorticotropic Hormone Fragment 4-10 human, rat
Met-Glu-His-Phe-Arg-Trp-Gly
ADRENOCORTICOTROPIC HORMONE, Fragment 4-10
CAS号
4037-01-8
MDL号
MFCD00167482
PubChem SID
24890423
162091396
PubChem CID
4260043

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 4260043 external link

理论计算性质

理论计算性质

JChem
Acid pKa 3.219987  质子受体 15 
质子供体 14  LogD (pH = 5.5) -6.777318 
LogD (pH = 7.4) -6.376066  Log P -6.405425 
摩尔折射率 258.9789 cm3 极化性 97.27683 Å3
极化表面积 381.59 Å2 可自由旋转的化学键 29 
里宾斯基五规则 false 

分子性质

分子性质

安全信息 药理学性质 产品相关信息 生物活性(PubChem)
保存条件
-20°C expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
相关基因信息
human ... POMC(5443)rat ... Crhr2(64680) expand 查看数据来源
纯度
≥97% (HPLC) expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  A0401 external link
Amino Acid Sequence
Met-Glu-His-Phe-Arg-Trp-Gly
Other Notes
Core fragment of ACTH, α- and β-MSH, and β-lipotropin
Quality
Lacks adrenocorticotropic activity.
Biochem/physiol Actions
Adrenocorticotropic Hormone Fragment 4-10 (ACTH (4-10)) attenuates ischemia/reperfusion-induced cardiac injury via reduction in infarct size, caspase 3 activity, and apoptosis, and an increase in HO-1 expression. ACTH 4-10 is a melanocortin 4 receptor (MCR-4) agonist. ACTH 4-10 facilitates active and passive avoidance acquisition, improves short term memory consolidation, and promotes memory retrieval. ACTH 4-10 and semax are analogues.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Greven, H.M. and DeWied D., Eur. J. Pharmacol., 2: 14, (1967).
  • Wolthius, O.L. and DeWied D., Pharmacol. Biochem. Behavior, 4: 273, (1978).
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专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

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