Basic information
- CAS
137005-17-5- Standard SMILES
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)CS(=O)(=O)c1ccc2ccccc2c1.NC(N)=NCCC[C@H](N)C(=O)O- InChIKey
TXTJVOOURRNANH-QEXBQMGZSA-N- Molecular formula
- C31H49N5O8S
- Average molar mass
- 651.8 g/mol
- Monoisotopic mass
- 651.33018471
Names & identifiers
- Preferred name
- 4-N-(3-Methoxypropyl)-N-pentylcarbamoyl-5-(2-naphthylsulfonyl)pentanoic acid
- IUPAC
- (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(4R)-5-[3-methoxypropyl(pentyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid
- English name
- KSG 504
- Molecular formula
- C25H35NO6S.C6H14N4O2
- Molecular weight
- 651.82
Names & synonyms
4-N-(3-Methoxypropyl)-N-pentylcarbamoyl-5-(2-naphthylsulfonyl)pentanoic acid(2S)-2-Amino-5-(diaminomethylideneamino)pentanoic acid;(4R)-5-[3-methoxypropyl(pentyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acidL-Arginine, mono((R)-5-((3-methoxypropyl)pentylamino)-4-((2-naphthalenylsulfonyl)methyl)-5-oxopentanoate)KSG-504 (anhydrous)orb1696743SCHEMBL31286220DTXSID70929658AKOS030531694HY-129759T32425Arginine--5-[(3-methoxypropyl)(pentyl)amino]-4-[(naphthalene-2-sulfonyl)methyl]-5-oxopentanoic acid (1/1)L-Arginine, mono[(4R)-5-[(3-methoxypropyl)pentylamino]-4-[(2-naphthalenylsulfonyl)methyl]-5-oxopentanoate] (9CI)
Show more names
KSG 5044(R)-[N-(3-Methoxypropyl)-N-Pentylcarbamoyl]-5-(2- Naphthylsulfonyl)Pentanoic Acid L-Arginine Salt Monohydrate
L-Arginine--(4R)-5-[(3-methoxypropyl)(pentyl)amino]-4-[(naphthalene-2-sulfonyl)methyl]-5-oxopentanoic acid (1/1)
Properties
Computed structural properties
- Topological polar surface area
- 237 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 881
Chemistry & industry
Applications
DescriptionKsg 504 has superior selectivity and affinity to CCK-A receptors and derived from proglumide.
UsesKSG-504 (anhydrous) is a CCK receptor antagonist. KSG-504 (anhydrous) inhibits the development of Ethionine-induced acute pancreatitis in rats and facilitates the regeneration of acinar cells[1].
Suppliers4 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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