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EG01377 , CAS No.E610077, neuropilin 1
Basic Description
Synonyms
(3-((5-(4-(aminomethyl)phenyl)-2,3-dihydrobenzofuran)-7-sulfonamido)thiophene- 2-carbonyl)-L-arginine;compound 1
Specifications & Purity
Moligand™
Grade
Moligand™
Mechanism of action
neuropilin 1
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Arginine and derivatives
Alternative Parents
N-acyl-alpha amino acids Coumarans Thiophene carboxamides Alkyl aryl ethers N-acyl amines Benzene and substituted derivatives Vinylogous amides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Guanidines Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboxylic acid amides Carboximidamides Organopnictogen compounds Organic oxides Monoalkylamines Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Arginine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Coumaran - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Alkyl aryl ether - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Guanidine - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboximidamide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Imine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2S)-2-[(3-{5-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-7-sulfonamido}thiophen-2-yl)formamido]-5-carbamimidamidopentanoic acid
INCHI
InChI=1S/C26H30N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-6,8,11-13,20,32H,1-2,7,9-10,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1
InChIKey
SEXUXSMBJLNXIR-FQEVSTJZSA-N
Smiles
NCc1ccc(cc1)c1cc2CCOc2c(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@H](C(=O)O)CCCNC(=N)N
Isomeric SMILES
C1COC2=C1C=C(C=C2S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C4=CC=C(C=C4)CN
Reaxy-Rn
61961809
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61961809&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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