MDL-29951 - ≥99% , CAS No.130798-51-5

CAS: 130798-51-5 Cat. No.: M647360 Molecular Weight: 302.11 PubChem CID: 446916
AVAILABLE TO ORDER
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
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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.

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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.

Overview

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

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
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
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.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ANTAGONIST
Purity
≥99%
Names and Identifiers
Canonical SmilesC1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl
IUPAC Name3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid
InChIKeyKNBSYZNKEAWABY-UHFFFAOYSA-N
INCHI1S/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)
Isomeric SMILES C1=C(C=C(C2=C1NC(=C2CCC(=O)O)C(=O)O)Cl)Cl
Alternate CAS 101861-63-6
PubChem CID 446916
MeSH Entry Terms 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
Molecular Weight 302.11

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic 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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GPR17 Tchem Uracil nucleotide/cysteinyl leukotriene receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY6 Tchem Pyrimidinergic receptor P2Y6 (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY4 Tchem Pyrimidinergic receptor P2Y4 (598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY1 Tchem Purinergic receptor P2Y1 (1327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY2 Tclin Purinergic receptor P2Y2 (1109 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN2C Tclin Glutamate [NMDA] receptor subunit epsilon 3 (47 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY14 Tchem Purinergic receptor P2Y14 (692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR17 Tchem Uracil nucleotide/cysteinyl leukotriene receptor (291 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHO-K1 (1115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Grin1 Glutamate NMDA receptor (6467 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Grik1 Glutamate receptor ionotropic, kainate (722 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
J2509595Certificate of AnalysisJul 31, 2025 M647360
J2509596Certificate of AnalysisJul 31, 2025 M647360
J2509597Certificate of AnalysisJul 31, 2025 M647360
Chemical and Physical Properties
SolubilityDMSO : ≥ 50 mg/mL (165.50 mM)
Molecular Weight302.110 g/mol
XLogP32.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass300.991 Da
Monoisotopic Mass300.991 Da
Topological Polar Surface Area90.400 Ų
Heavy Atom Count19
Formal Charge0
Complexity379.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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