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· · COA & SDS available for every product · Same-day shipping on in-stock items biricodar - Moligand™ , Multidrug resistance-associated protein 1 inhibitor, CAS No.159997-94-1, Multidrug resistance-associated protein 1 inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
BIRICODAR [MI]|2-Piperidinecarboxylic acid, 1-(oxo(3,4,5-trimethoxyphenyl)acetyl)-, 4-(3-pyridinyl)-1-(3-(3-pyridinyl)propyl)butyl ester, (S)-|4-(3-Pyridyl)-1-(3-(3-pyridyl)propyl)butyl(S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate|Biricodar|(S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester|VX710|VX-710|Biricodar [INN]|Incel|Vx 710|1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate|4-(3-Pyridyl)-1-(3-(-pyridyl)propyl)butyl(S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate|BIRICODAR [WHO-DD]
Specifications Synonyms
BIRICODAR [MI] | 2-Piperidinecarboxylic acid, 1-(oxo(3,4,5-trimethoxyphenyl)acetyl)-, 4-(3-pyridinyl)-1-(3-(3-pyridinyl)propyl)butyl ester, (S)- | 4-(3-Pyridyl)-1-(3-(3-pyridyl)propyl)butyl(S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate | Biricodar | (S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-pyri Show more
Specifications & Purity
Moligand™
Mechanism of action
Multidrug resistance-associated protein 1 inhibitor
Product Properties Names and Identifiers Canonical Smiles
COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cnccc1)CCCc1cnccc1
IUPAC Name
1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
InChIKey
CGVWPQOFHSAKRR-NDEPHWFRSA-N
INCHI
1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4
Advanced Data 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 Alpha amino acid esters Alternative Parents Phenylacetamides Piperidinecarboxylic acids N-acylpiperidines Phenoxy compounds Anisoles Aryl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-amino acid ester - Phenylacetamide - N-acyl-piperidine - Piperidinecarboxylic acid - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 603.700 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 16 Exact Mass 603.294 Da Monoisotopic Mass 603.294 Da Topological Polar Surface Area 117.000 Ų Heavy Atom Count 44 Formal Charge 0 Complexity 866.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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