Name: MDL-29951 - ≥99% , CAS No.130798-51-5
SKU: M647360
Availability: InStock

MDL-29951 - ≥99% , CAS No.130798-51-5

CAS: 130798-51-5 Cat. No.: M647360 분자식: C₁₂H₉Cl₂NO₄ 분자량: 302.11 PubChem CID: 446916

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MDL-29951 - ≥99% CAS No(130798-51-5) M647360 by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥99%

Synonyms

A13729 | Mdl 29951 | 2-Carboxy-4,6-dichloro-1H-indole-3-propanoic acid | 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid | MFCD00897722 | BRD-K59753853-001-01-5 | EX-A270 | Maybridge3_007017 | AB00053164_06 | Oprea1_596892 | BPBio1_001266 | NC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

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.

개요

MDL-29951 is a novel glycine antagonist of NMDA receptor activation, with K i of 0.14 μM for [ 3 H]glycine binding in vitro and in vivo.

In Vitro

MDL 100,748 and MDL 29,951 are approximately 2000-fold selective for the glycine binding site relative to the glutamate recognition sites. MDL-29951 is found to inhibit the human F16Bpase under these conditions (IC 50 =2.5 μM). MDL-29951 inhibits the human liver (IC 50 =2.5 μM), porcine kidney (IC 50 =1.0 μM), and rabbit liver (IC 50 =0.21 μM) isoforms of the enzyme, but is significantly less potent against the rat liver isoform (IC 50 =11 μM). The MDL29951-activated receptor exhibits other activities associated with GPCR-mediated signaling, including G protein-dependent activation of extracellular signal-regulated kinase 1 and 2 (ERK1/2) and recruitment of β-arrestin. As with recombinant cell systems, MDL29951 promotes Ca 2+ signaling responses and inhibition of cyclic adenosine monophosphate (cAMP) accumulation in rat oligodendrocyte precursor cells during the period of peak GPR17 abundance. Effects of MDL29951 are markedly reduced in cells with low GPR17 abundance and are blocked by pranlukast. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:NMDA Receptor

Specifications

동의어

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

MDL-29951 is a novel glycine antagonist of NMDA receptor activation, with K i of 0.14 μM for [ 3 H]glycine binding in vitro and in vivo.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ANTAGONIST

순수함

≥99%

이름과 식별자

Pubchem Sid	528765440
정식 스마일	C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl
IUPAC Name	3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
InChIKey	KNBSYZNKEAWABY-UHFFFAOYSA-N
INCHI	1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
이성체 SMILES	C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl
대체 CAS	101861-63-6
PubChem CID	446916
MeSH 용어	2-carboxy-4,6-dichloro-(1H)-indole-3-propanoic acid;3-(4,6-dichloro-2-carboxyindol-3-yl)propionic acid;3-DCCIP;MDL 29951;MDL-29951;MDL29,951
분자량	302.11

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 Organoheterocyclic compounds
  - 분류 Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	3-alkylindoles Pyrrole 2-carboxylic acids Substituted pyrroles Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - 3-alkylindole - Indole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
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

3D 구조

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리뷰

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Lot Number	Certificate Type	날짜	항목
J2509595	Certificate of Analysis	Jul 31, 2025	M647360
J2509596	Certificate of Analysis	Jul 31, 2025	M647360
J2509597	Certificate of Analysis	Jul 31, 2025	M647360

용해성	DMSO : ≥ 50 mg/mL (165.50 mM)
분자량	302.110 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	300.991 Da
Monoisotopic Mass	300.991 Da
Topological Polar Surface Area	90.400 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	379.000
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