Name: BMS-1001 - 10mM in DMSO , CAS No.2113650-03-4
SKU: B422564
Availability: InStock

BMS-1001 - 10mM in DMSO , CAS No.2113650-03-4

CAS: 2113650-03-4 Cat. No.: B422564 分子式: C₃₅H₃₄N₂O₇ 分子量: 594.65

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BMS-1001 - 10mM in DMSO CAS No(2113650-03-4) by Aladdin Scientific

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注文可能

GRADE & PURITY 10mM in DMSO

Synonyms

D-Serine,N-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methyl]-

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Information

BMS-1001 BMS-1001 is a potent inhibitor of PD-1/PD-L1 interaction with EC50 of 253 nM. BMS-1001 alleviates the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes.

Targets

PD-1/PD-L1 (Cell-free assay) 253 nM(EC50)

In vitro

BMS-1001 alleviates the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes. BMS-1001 is effective in attenuating the inhibitory effect of the cell surface-associated PD-L1.

Cell Research(from reference)

Cell lines：PD-L1⁺ aAPC/CHO-K1 cells (aAPCs), PD-1 Effector Cells (ECs)

Concentrations：0.12 μM, 0.3 μM, 1.2 μM, 3 μM

Incubation Time：24 h

Specifications

同義語

D-Serine,N-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methyl]-

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

BMS-1001 is a potent inhibitor of PD-1/PD-L1 interaction with EC50 of 253 nM. BMS-1001 alleviates the inhibitory effect of the soluble PD-L1 on the T-cell receptor-mediated activation of T-lymphocytes.

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

製品の性質

ALogP	3.03
hba_count	5
HBD数	2
回転可能な結合	12

名前と識別子

パブケム・シド	528763469
カノニカル・スマイル	CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC4=C(C=C3)OCCO4)C)OCC5=CC(=CC=C5)C#N)CNC(CO)C(=O)O
IUPAC Name	(2R)-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]-5-methylphenyl]methylamino]-3-hydroxypropanoic acid
InChIKey	UWNXGZKSIKQKAH-SSEXGKCCSA-N
INCHI	1S/C35H34N2O7/c1-22-13-28(18-37-30(19-38)35(39)40)33(43-20-25-6-3-5-24(14-25)17-36)16-32(22)44-21-27-7-4-8-29(23(27)2)26-9-10-31-34(15-26)42-12-11-41-31/h3-10,13-16,30,37-38H,11-12,18-21H2,1-2H3,(H,39,40)/t30-/m1/s1
異性体SMILES	CC1=CC(=C(C=C1OCC2=C(C(=CC=C2)C3=CC4=C(C=C3)OCCO4)C)OCC5=CC(=CC=C5)C#N)CN[C@H](CO)C(=O)O
分子量	594.65
Reaxy-Rn	42964209
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42964209&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - 分類 Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Serine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
分類	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Serine and derivatives
Alternative Parents	D-alpha-amino acids Benzo-1,4-dioxanes Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Benzonitriles Toluenes Beta hydroxy acids and derivatives Aralkylamines Alkyl aryl ethers Para dioxins Amino acids Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Serine or derivatives - D-alpha-amino acid - Benzodioxane - Benzo-1,4-dioxane - Alpha-amino acid - Phenoxy compound - Phenylmethylamine - Phenol ether - Benzylamine - Benzonitrile - Aralkylamine - Toluene - Beta-hydroxy acid - Alkyl aryl ether - Benzenoid - Para-dioxin - Hydroxy acid - Monocyclic benzene moiety - Amino acid - Oxacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as serine and derivatives. These are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
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

3 D構造

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レビュー

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感度	light sensitive
DMSO（mg / mL）最大溶解度	25
DMSO（mM）最大溶解度	42.0415370385941
水（mg / mL）最大溶解度	＜1
分子量	594.700 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	594.237 Da
Monoisotopic Mass	594.237 Da
Topological Polar Surface Area	130.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	957.000
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