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27061-78-5 分子结构
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(4S)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-(2-{2-[(2S)-2-{2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-3-methylbutanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid

ChemBase编号:132637
分子式:C92H150N22O25
平均质量:1964.3078
单一同位素质量:1963.11424841
SMILES和InChIs

SMILES:
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](Cc1ccccc1)CO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)NC(=O)C
Canonical SMILES:
OC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)C(NC(=O)[C@H](C(C)C)NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)C)(C)C)(C)C)C)(C)C)C)CCC(=O)N)(C)C)(C)C)CC(C)C)(C)C)(C)C)(C)C)CCC(=O)O)CCC(=O)N)Cc1ccccc1
InChI:
InChI=1S/C92H150N22O25/c1-47(2)43-58(72(127)108-92(24,25)84(139)113-41-29-33-59(113)73(128)103-65(48(3)4)75(130)111-90(20,21)82(137)112-89(18,19)80(135)102-56(37-40-64(120)121)70(125)101-55(35-38-61(93)117)69(124)98-54(46-115)44-53-31-27-26-28-32-53)99-63(119)45-95-77(132)85(10,11)110-76(131)66(49(5)6)104-81(136)88(16,17)107-71(126)57(36-39-62(94)118)100-67(122)50(7)96-78(133)86(12,13)106-68(123)51(8)97-79(134)87(14,15)109-74(129)60-34-30-42-114(60)83(138)91(22,23)105-52(9)116/h26-28,31-32,47-51,54-60,65-66,115H,29-30,33-46H2,1-25H3,(H2,93,117)(H2,94,118)(H,95,132)(H,96,133)(H,97,134)(H,98,124)(H,99,119)(H,100,122)(H,101,125)(H,102,135)(H,103,128)(H,104,136)(H,105,116)(H,106,123)(H,107,126)(H,108,127)(H,109,129)(H,110,131)(H,111,130)(H,112,137)(H,120,121)/t50-,51-,54+,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1
InChIKey:
LGHSQOCGTJHDIL-SLKIUSOBSA-N

引用这个纪录

CBID:132637 http://www.chembase.cn/molecule-132637.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
(4S)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-(2-{2-[(2S)-2-{2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-3-methylbutanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid
IUPAC传统名
(4S)-4-{[(1S)-3-carbamoyl-1-{[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-4-(2-{2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-(2-{2-[(2S)-2-{2-[(2S)-4-carbamoyl-2-[(2S)-2-{2-[(2S)-2-(2-{[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidin-2-yl]formamido}-2-methylpropanamido)propanamido]-2-methylpropanamido}propanamido]butanamido]-2-methylpropanamido}-3-methylbutanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylpropanoyl}pyrrolidin-2-yl]formamido}-3-methylbutanamido]-2-methylpropanamido}-2-methylpropanamido)butanoic acid
别名
Antibiotic U-22324
Alamethicin from Trichoderma viride
(3S,12R)-1-((S)-1-((6S,12S,15S,21S,30S)-1-((R)-1-(2-Acetamido-2-methylpropanoyl)pyrrolidin-2-yl)-15-(3-amino-3-oxopropyl)-30-isobutyl-21-isopropyl-3,3,6,9,9,2,18,18,24,24,33,33-dodecamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaoxo-2,5,8,11,14,17,20,23,26,29,32-undecaazatetratriacontan-34-oyl)pyrrolidin-2-yl)-12-(((R)-5-amino-1-(((S)-1-hydroxy-3-phenylpropan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)-3-isopropyl-6,6,9,9-tetramethyl-1,4,7,10-tetraoxo-2,5,8,11-tetraazapentadecan-15-oic Acid
Alamethicin
CAS号
27061-78-5
MDL号
MFCD00151517
Beilstein号
5213858
PubChem SID
162226914
24890893
PubChem CID
53229968

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 53229968 external link

理论计算性质

理论计算性质

JChem
Acid pKa 4.0946937  质子受体 25 
质子供体 22  LogD (pH = 5.5) -7.242025 
LogD (pH = 7.4) -8.925522  Log P -5.8232164 
摩尔折射率 499.6144 cm3 极化性 195.59917 Å3
极化表面积 708.13 Å2 可自由旋转的化学键 53 
里宾斯基五规则 false 

分子性质

分子性质

安全信息 产品相关信息 生物活性(PubChem)
欧盟危险性物质标志
有毒(Toxic) 有毒(Toxic) (T) expand 查看数据来源
联合国危险货物编号
3462 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
联合国危险货物等级
6.1 expand 查看数据来源
联合国危险货物包装类别(PG)
3 expand 查看数据来源
危险公开号
25 expand 查看数据来源
安全公开号
45 expand 查看数据来源
GHS危险品标识
GHS06 expand 查看数据来源
GHS警示词
Danger expand 查看数据来源
GHS危险声明
H301 expand 查看数据来源
GHS警示性声明
P301 + P310 expand 查看数据来源
个人保护装置
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand 查看数据来源
RID/ADR
UN 3462 6.1/PG 3 expand 查看数据来源
保存温度
-20°C expand 查看数据来源
2-8°C expand 查看数据来源
纯度
≥50% (main component, HPLC) expand 查看数据来源
≥98% (HPLC) expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
产品质量级别
PREMIUM expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich -  A4665 external link
Antibody Adsorbant
Ac-2-MeAla-L-Pro-2-MeAla-L-Ala-2-MeAla-L-Ala-L-Glu(NH2)-2-MeAla-L-Val-2-MeAla-Gly-L-Leu-2-MeAla-L-Pro-L-Val-2-MeAla-2-MeAla-L-Glu-L-Glu(NH2)-phenylalaninol
Biochem/physiol Actions
Monovalent cation ionophore; can mimic nerve action potential across artificial membranes.
Quality
A mixture of alamethicin homologs
Application
Alamethicin is a monovalent cation ionophore which can mimic nerve action potential across artificial membranes. Alamethicin has also been used to study membrane interactions of antimicrobial peptides.
Sigma Aldrich -  05125 external link
Antibody Adsorbant
Ac-2-MeAla-L-Pro-2-MeAla-L-Ala-2-MeAla-L-Ala-L-Glu(NH2)-2-MeAla-L-Val-2-MeAla-Gly-L-Leu-2-MeAla-L-Pro-L-Val-2-MeAla-2-MeAla-L-Glu-L-Glu(NH2)-phenylalaninol
Other Notes
Alamethicin-mediated fusion of lecithin vesicles1
Toronto Research Chemicals -  A470700 external link
Alamethicin is a peptide antibiotic, produced by the fungus Trichoderma viride. Alamethicin contains the non-proteinogenic amino acid 2-aminoisobutyric acid (Aib), which strongly induces helical peptide structures. In cell membranes, it forms voltage-depe

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Afonin, S., et al.: Chembiochem., 4, 1151 (2003)
  • Henriques, S., et al.: Biochem. J., 399, 1 (2003)
  • Almeida, P., et al.: Biochemistry, 48, 8083 (2003)
  • Heitz, F., et al.: Br. J. Pharmacol., 157, 195 (2003)
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专利

专利

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