BMS202 (PD-1/PD-L1 inhibitor 2) - Moligand™, ≥98% , Agonist of CB 1 receptor;Agonist of CB 2 receptor, CAS No.1675203-84-5, Agonist of CB 1 receptor;Agonist of CB 2 receptor

CAS: 1675203-84-5 Cat. No.: B276435 Peso molecular: 419.5

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[2-[[[2-Methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]acetamide;PD1-PDL1 inhibitor 2 | N-(2-{[2-Methoxy-6-(2-methyl-biphenyl-3-ylmethoxy)-pyridin-3-ylmethyl]-amino}-ethyl)-acetamide | N-[2-[[2-methoxy-6-[(2-methyl-3-ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Shipped at 4°C. Store at -20°C.

Specifications

Sinónimos

N-[2-[[[2-Methoxy-6-[(2-methyl[1, 1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]acetamide;PD1-PDL1 inhibitor 2 | N-(2-{[2-Methoxy-6-(2-methyl-biphenyl-3-ylmethoxy)-pyridin-3-ylmethyl]-amino}-ethyl)-acetamide | N-[2-[[2-methoxy-6-[(2-methyl-3-ph

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

PD-1/PD-L1 inhibitor 2 is a small-molecule PD-1/PD-L1 interaction inhibitor with an IC 50 of 18 nM. Biophysical studies demonstrate that BMS202 binds directly to PD-L1.\xa0Binding of BMS202 promotes PD-L1 dimerisation and blocks the PD-L1/ PD1 interaction

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.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of CB 1 receptor;Agonist of CB 2 receptor

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504772841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772841
• Sonrisas canónicas: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC
• IUPAC Name: N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide
• InChIKey: JEDPSOYOYVELLZ-UHFFFAOYSA-N
• INCHI: 1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
• Isómeros SMILES: CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC
• CAS alternativo: 1675203-84-5
• Términos de entrada MeSH: BMS202;N-(2-((2-Methoxy-6-(2-methyl-biphenyl-3-ylmethoxy)-pyridin-3-ylmethyl)-amino)-ethyl)-acetamide;PCC0208025
• Peso molecular: 419.5
• Reaxy-Rn: 27956188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27956188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Toluenes Aralkylamines Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Aralkylamine - Toluene - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

CNR1 Tclin Cannabinoid receptor 1 (1 Activities)

Discover Target: CNR1

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

CNR2 Tchem Cannabinoid receptor 2 (1 Activities)

Discover Target: CNR2

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

CD274 Tclin Programmed cell death 1 ligand 1 (3 Activities)

Discover Target: CD274

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

HaCaT (4069 Activities)

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

HepG2 (196354 Activities)

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

T-cell line (174 Activities)

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

Jurkat (10389 Activities)

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

PC-9 (1037 Activities)

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

MDA-MB-231 (73002 Activities)

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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

HCC827 (1172 Activities)

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

Objetivos asociados (no humanos)

CHO-K1 (1115 Activities)

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

MC-38 (857 Activities)

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

CT26 (928 Activities)

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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)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: 83 mg/mL (197.84 mM) in DMSO.
• Peso molecular: 419.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 419.221 Da
• Monoisotopic Mass: 419.221 Da
• Topological Polar Surface Area: 72.500 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 526.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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. Ruoxia Wu, Jiaqing Xiong, Ting Zhou, Zhen Zhang, Zhen Huang, Sha Tian, Yongli Wang.  (2023)  Quercetin/Anti-PD-1 Antibody Combination Therapy Regulates the Gut Microbiota, Impacts Macrophage Immunity and Reshapes the Hepatocellular Carcinoma Tumor Microenvironment.  Frontiers in Bioscience-Landmark,  28  (12): (327).  [PMID:38179731] [10.31083/j.fbl2812327]

2. Qiuyang Huang, Xiaoling Zang, Zhiwei Zhang, Hang Yu, Baoyan Ding, Zhuangzhuang Li, Simin Cheng, Xin Zhang, Mustafa R.K. Ali, Xue Qiu, Zhihua Lv.  (2023)  Study on endogenous inhibitors against PD-L1: cAMP as a potential candidate.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:36646351] [10.1016/j.ijbiomac.2023.123266]

3. Yiqiang OuYang, Jian Gao, Lei Zhao, Junfeng Lu, Haiqing Zhong, Hua Tang, Shuanglong Jin, Lu Yue, Yuezhen Li, Wenjie Guo, Qiang Xu, Yisheng Lai.  (2021)  Design, Synthesis, and Evaluation of o-(Biphenyl-3-ylmethoxy)nitrophenyl Derivatives as PD-1/PD-L1 Inhibitors with Potent Anticancer Efficacy In Vivo.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:34037385] [10.1021/acs.jmedchem.1c00370]

4. Sha Liu, Lina Wang, Yupeng Wang, Lina Geng.  (2025)  ROS-responsive multifunctional DCS-based micelle-hydrogel for simultaneously inhibiting post-melanoma-resection recurrence and promoting wound healing.  Nanoscale,      [PMID:41568423] [10.1039/D5NR03938J]