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CP-101,606 - 98% (HPLC), high purity , Glutamate NMDA receptor; GRIN1/GRIN2B antagonist, CAS No.134234-12-1, Glutamate NMDA receptor; GRIN1/GRIN2B antagonist
Basic Description
Synonyms
CP 101606 | MLS006010672 | 1-[(S)-2-(S)-Hydroxy-2-(4-hydroxy-phenyl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol | BCP13195 | CP101606 | AKOS015959795 | Traxoprodil [INN] | DTXSID90158605 | TRAXOPRODIL [WHO-DD] | 134234-12-1 (free base) | Benzophenone,4'-bis(
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
曲索普地尔(CP-101606)是一种有效的N-甲基-D-天冬氨酸(NMDA)受体非竞争性拮抗剂,对NR2B亚单位具有选择性。在脑损伤和中风的动物模型中,它被证明具有神经保护作用。
CP-101606(曲索普地尔)在抑制谷氨酸诱导的大鼠死亡中起作用。它可能对人类缺血和神经退行性疾病有治疗作用。曲索普地尔由细胞色素P450(CYP)2D6代谢。
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Glutamate NMDA receptor; GRIN1/GRIN2B antagonist
Product Description
CP-101,606 has been used as a N-methyl-D-aspartate (NMDA) receptor antagonist to study its role in recovery of spinal cord injuries.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Phenylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperidines
Alternative Parents
Phenylpropanes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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
Pubchem Sid
504757876
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757876
IUPAC Name
1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol
INCHI
InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
InChIKey
QEMSVZNTSXPFJA-HNAYVOBHSA-N
Smiles
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O
Isomeric SMILES
C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O
WGK Germany
3
Molecular Weight
327.42
Reaxy-Rn
13582904
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13582904&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: ≥35 mg/mL
Molecular Weight
327.400 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
327.183 Da
Monoisotopic Mass
327.183 Da
Topological Polar Surface Area
63.900 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
380.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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