129033-04-1|Cyclotheonamide A|N-((3S,7R,10S,16S,21aS,E)-7-benzyl-3-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-16-yl)formamide|-范德生物科技公司

Cyclotheonamide A

NMR下载 COA and HPLC MSDS下载
names：
N-((3S,7R,10S,16S,21aS,E)-7-benzyl-3-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-16-yl)formamide
CAS号：
129033-04-1
MDL Number：
MF(分子式)： C36H45N9O8 MW(分子量)： 731.81
EINECS: Reaxys Number:
Pubchem ID: Brand:BIOFOUNT

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中文别名	Cyclotheonamide A
英文别名	Cyclotheonamide A;
CAS号	129033-04-1
SMILES	O=C(N[C@@H](Cc1ccc(O)cc1)/C=C/C(NC[C@H](NC=O)C(N2CCC[C@H]2C(N[C@@H](CCCNC(N)=N)C(C(N3)=O)=O)=O)=O)=O)[C@H]3Cc4ccccc4
Inchi	InChI=1S/C36H45N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,47H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+/m1/s1
InchiKey	CDWXSPKJKIUEQF-BIXWYCRZSA-N
分子式 Formula	C36H45N9O8
分子量 Molecular Weight	731.81
闪点 FP
熔点 Melting point
沸点 Boiling point
Polarizability极化度
密度 Density
蒸汽压 Vapor Pressure
溶解度Solubility
性状	Solid powder
储藏条件 Storage conditions	Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

产品说明	Cyclotheonamide A(CAS:129033-04-1):仅限应用于工业或者科学研究过程中非医疗目的，不应用于人类或动物的临床诊断以及治过程疗，该产品非药用，非食用。
Introduction	Cyclotheonamide A is a cyclic peptide isolated from the marine sponge Theonella.
Application1
Application2
Application3

警示图
危险性	Warning
危险性警示
安全声明
安全防护
备注

[1]Maryanoff BE, Qiu X, Padmanabhan KP, Tulinsky A, Almond HR Jr, Andrade-Gordon P, Greco MN, Kauffman JA, Nicolaou KC, Liu A, et al. Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A. Proc Natl Acad Sci U S A. 1993 Sep 1;90(17):8048-52. PubMed PMID: 8367461; PubMed Central PMCID: PMC47285.

[2]Ganesh V, Lee AY, Clardy J, Tulinsky A. Comparison of the structures of the cyclotheonamide A complexes of human alpha-thrombin and bovine beta-trypsin. Protein Sci. 1996 May;5(5):825-35. PubMed PMID: 8732754; PubMed Central PMCID: PMC2143408.

[3] Lewis SD, Ng AS, Baldwin JJ, Fusetani N, Naylor AM, Shafer JA. Inhibition of thrombin and other trypsin-like serine proteinases by cyclotheonamide A. Thromb Res. 1993 Apr 15;70(2):173-90. PubMed PMID: 8322286.

[4] Schaschke N, Sommerhoff CP. Upgrading a natural product: inhibition of human beta-tryptase by cyclotheonamide analogues. ChemMedChem. 2010 Mar 1;5(3):367-70. doi: 10.1002/cmdc.200900484. PubMed PMID: 20077463.

[5] Owens TD, Semple JE. Atom-economical synthesis of the N(10)-C(17) fragment of cyclotheonamides via a novel Passerini reaction-deprotection-acyl migration strategy. Org Lett. 2001 Oct 18;3(21):3301-4. PubMed PMID: 11594819.

6: Yli-Kauhaluoma J, Janda KD. Twisted alpha-keto amides as transition-state analogues for acyl-transfer reactions: synthesis of the immunoconjugates. Bioorg Med Chem. 1994 Jun;2(6):521-8. PubMed PMID: 7528089.

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