BRD9185 - Moligand™ , Inhibitor of dihydroorotate dehydrogenase (quinone), CAS No.2057420-29-6, Inhibitor of dihydroorotate dehydrogenase (quinone)

CAS: 2057420-29-6 Cat. No.: B608212 PubChem CID: 121596187
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
compound 27
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B608212-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$857.90
25mg
B608212-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
compound 27
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of dihydroorotate dehydrogenase (quinone)
Names and Identifiers
Canonical SmilesCCCNC(=O)N1C(C(C1C#N)C2=CC=C(C=C2)C3=CC(=C(C=C3)C(F)(F)F)C(F)(F)F)CO
IUPAC Name(2S,3S,4S)-3-[4-[3,4-bis(trifluoromethyl)phenyl]phenyl]-2-cyano-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
InChIKeyFYPZBZFXJUJJRA-AQNXPRMDSA-N
INCHI1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1
Isomeric SMILES CCCNC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC(=C(C=C3)C(F)(F)F)C(F)(F)F)CO
PubChem CID 121596187

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

3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DHODH Tclin Dihydroorotate dehydrogenase (quinone), mitochondrial (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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:
Citations of This Product
References
1. Mingguang Yu, Qinggang Xie, Han Sun, Ying Wang, Yuan Tang, Baosong Wang, Huanlu Song, Lijin Wang, Shilong Jiang, Kaifeng Li, Yongjiu Zhang, Chengdong Zheng.  (2023)  Characterization of odor properties of human milk: Effect of inter-individual nutrient differences on key odor-active compounds and odor attributes.  FOOD CHEMISTRY,      [PMID:37567077] [10.1016/j.foodchem.2023.137091]
Solution Calculators
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