PD-1/PD-L1 inhibitor 1 - ≥98% , CAS No.1675201-83-8

CAS: 1675201-83-8 Cat. No.: P276510 Peso molecular: 475.6 PubChem CID: 91663303

GRADE & PURITY ≥98%

Synonyms

(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylicacid | (S)-1-(2,6-dimethoxy-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)benzyl)piperidine-2-carboxylic acid | PD1-PDL1-IN1 | BMS-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Shipped at 4°C. Store at -20°C.

Specifications

Sinónimos

(2S)-1-[[2, 6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylicacid | (S)-1-(2, 6-dimethoxy-4-((2-methyl-[1, 1'-biphenyl]-3-yl)methoxy)benzyl)piperidine-2-carboxylic acid | PD1-PDL1-IN1 | BMS-1

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

In the cell-free HTRF test, PD-1/PD-L1 inhibitor 1 blocked the PD-1/PD-L1 interaction with an IC50 of 6 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772638
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772638
• Sonrisas canónicas: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCCC4C(=O)O)OC
• IUPAC Name: (2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carboxylic acid
• InChIKey: ZBOYJODMIAUJHH-SANMLTNESA-N
• INCHI: 1S/C29H33NO5/c1-20-22(12-9-13-24(20)21-10-5-4-6-11-21)19-35-23-16-27(33-2)25(28(17-23)34-3)18-30-15-8-7-14-26(30)29(31)32/h4-6,9-13,16-17,26H,7-8,14-15,18-19H2,1-3H3,(H,31,32)/t26-/m0/s1
• Isómeros SMILES: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(=C(C(=C3)OC)CN4CCCC[C@H]4C(=O)O)OC
• PubChem CID: 91663303
• Peso molecular: 475.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Biphenyls and derivatives L-alpha-amino acids Dimethoxybenzenes Piperidinecarboxylic acids Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Toluenes Alkyl aryl ethers Aralkylamines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Biphenyl - Alpha-amino acid - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - L-alpha-amino acid - Piperidinecarboxylic acid - Anisole - Methoxybenzene - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - Benzenoid - Monocyclic benzene moiety - Amino acid - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CD274 Tclin Programmed cell death 1 ligand 1 (1 Activities)

Discover Target: CD274

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Jurkat (10389 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CD274 Tclin Programmed cell death 1 ligand 1 (299 Activities)

Discover Target: CD274

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 13 mg/mL (27.34 mM), Sonication is recommended
• Peso molecular: 475.600 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 475.236 Da
• Monoisotopic Mass: 475.236 Da
• Topological Polar Surface Area: 68.200 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 639.000
• 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

Referencias

1. Yan-Li Xing, Hong-Mei Li, Xiao-Ming Pang, Ying Zhang, Ting Yang, Yan-Hong Li, De-Chuan Liu, Yang-Yang Ma, Li-Zhi Niu.  (2025)  Irreversible electroporation combined with checkpoint blockade stimulates antitumor immune response in a hepatocellular carcinoma mouse model.  World Journal of Gastrointestinal Oncology,  17  (9): (110166).  [PMID:40977659] [10.4251/wjgo.v17.i9.110166]

2. Jian Yu, Jiangtao Wang, Ning Feng, Cancan Wang, Bohua Ma, Yuanming Zhang.  (2026)  Myd88 and Sqstm1 as novel biomarkers for pyroptosis-driven immune checkpoint inhibitors-related myocarditis.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:41653556] [10.1016/j.intimp.2026.116336]

3. Jian Yu, Jiangtao Wang, Xinya Liu, Jing Shi, Yang Zhang, Cancan Wang, Li Wu, Yuanming Zhang.  (2026)  Combining multi-omics analysis methods to identify biomarkers for mitophagy involved in immune checkpoint inhibitors-related myocarditis.  Frontiers in Immunology,      [PMID:42093991] [10.3389/fimmu.2026.1691848]