Dazmegrel , CAS No.76894-77-4

CAS: 76894-77-4 Cat. No.: D667912 Molecular Weight: 283.32 PubChem CID: 53555
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Synonyms
DAZMEGREL | UK-38485 | UK-38,485 | 3-(Imidazol-1-ylmethyl)-2-methylindole-1-propionic acid | DTXSID9046281 | 1H-Indole-1-propanoic acid, 3-(1H-imidazol-1-ylmethyl)-2-methyl- | 31340R8PVU | NCGC00160660-01 | 1H-Indole-1-propanoicacid, 3-(1H-imidazol-1-ylme
Storage
Room temperature
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Size
Status
Price
Qty
1mg
D667912-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
D667912-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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.

📚

Literature proof

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

Specifications

Synonyms
DAZMEGREL | UK-38485 | UK-38, 485 | 3-(Imidazol-1-ylmethyl)-2-methylindole-1-propionic acid | DTXSID9046281 | 1H-Indole-1-propanoic acid, 3-(1H-imidazol-1-ylmethyl)-2-methyl- | 31340R8PVU | NCGC00160660-01 | 1H-Indole-1-propanoicacid, 3-(1H-imidazol-1-ylme
Storage
Room temperature
Action Type
INHIBITOR
Product Properties
ALogP1.5
Names and Identifiers
Canonical SmilesCC1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3
IUPAC Name3-[3-(imidazol-1-ylmethyl)-2-methylindol-1-yl]propanoic acid
InChIKeyDEQLGSOHGTZKFB-UHFFFAOYSA-N
INCHI1S/C16H17N3O2/c1-12-14(10-18-9-7-17-11-18)13-4-2-3-5-15(13)19(12)8-6-16(20)21/h2-5,7,9,11H,6,8,10H2,1H3,(H,20,21)
Isomeric SMILES CC1=C(C2=CC=CC=C2N1CCC(=O)O)CN3C=CN=C3
PubChem CID 53555
Molecular Weight 283.32

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolyl carboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolyl carboxylic acids and derivatives
Alternative Parents N-alkylindoles  3-alkylindoles  Imidazolyl carboxylic acids and derivatives  Substituted pyrroles  N-substituted imidazoles  Benzenoids  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolyl carboxylic acid derivative - N-alkylindole - 3-alkylindole - Indole - Imidazolyl carboxylic acid derivative - N-substituted imidazole - Substituted pyrrole - Benzenoid - Azole - Imidazole - Pyrrole - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen 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 indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TBXAS1 Tchem Thromboxane-A synthase (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP11B1 Tclin Cytochrome P450 11B1 (1750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGIS Tchem Prostaglandin I2 synthase (104 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 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
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ptgs1 Prostaglandin G/H synthase (cyclooxygenase) (169 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:
Chemical and Physical Properties
Molecular Weight283.320 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass283.132 Da
Monoisotopic Mass283.132 Da
Topological Polar Surface Area60.100 Ų
Heavy Atom Count21
Formal Charge0
Complexity377.000
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
Reviews

Customer Reviews

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