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CRAC channel inhibitor 1 - Moligand™ , Channel blocker of Orai1, CAS No.C609598, Channel blocker of Orai1

CRAC channel inhibitor 1 - Moligand™ , Channel blocker of Orai1, CAS No.C609598, Channel blocker of Orai1

CAS: C609598 Cat. No.: C609598 PubChem CID: 3509452

COA

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ?

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Solution Calculators Reviews

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

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of Orai1

Names and Identifiers

Canonical Smiles	CCC(c1ccc(cc1)C)NC(=O)Nc1ccc(cc1)Cl
IUPAC Name	3-(4-chlorophenyl)-1-[1-(4-methylphenyl)propyl]urea
InChIKey	FKBYZUDELOWDJW-UHFFFAOYSA-N
INCHI	1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)
Isomeric SMILES	CCC(C1=CC=C(C=C1)C)NC(=O)NC2=CC=C(C=C2)Cl
PubChem CID	3509452

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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass N-phenylureas

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	N-phenylureas
Intermediate Tree Nodes	Not available
Direct Parent	N-phenylureas
Alternative Parents	Phenylpropanes Toluenes Chlorobenzenes Aryl chlorides Ureas Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-phenylurea - Phenylpropane - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Urea - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
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 Structure

Associated Targets(Human)

ORAI1 Tchem Calcium release-activated calcium channel protein 1 (0 Activities)

Discover Target: ORAI1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CACNA1B Tclin Voltage-gated N-type calcium channel alpha-1B subunit (743 Activities)

Discover Target: CACNA1B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Solution Calculators

Molarity Calculator

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Reconstitution Calculator

Reviews

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Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

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