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Pyr6 - Moligand™,≥98% , CAS No.245747-08-4

CAS: 245747-08-4 Cat. No.: P646980 Molecular Weight: 418.27 EC Number: 808-615-3 PubChem CID: 10598093
COA
Pyr6 - Moligand™,≥99% CAS No(245747-08-4) by Aladdin Scientific
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. ≥98%
Synonyms
AKOS030526749 | XZIQSOZOLJJMFN-UHFFFAOYSA-N | BDBM50450630 | PYR6 | n-[4-[3,5-bis(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]-3-fluoro-4-pyridinecarboxamide | NCGC00390662-01 | PD012839 | SCHEMBL7325729 | N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
P646980-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$19.90
5mg
P646980-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
25mg
P646980-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$99.90
100mg
P646980-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$229.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview 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) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

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

Overview

Pyr6 对 RBL SOCE 的效力比对 TRPC3 ROCE 的效力高 37 倍。Pyr6 is a selective store operated calcium entry (SOCE) inhibitor with an IC50 of 0.49 μM. Pyr6 displays 37-fold higher potency for RBL SOCE than for TRPC3 ROCE.

Specifications

Synonyms
AKOS030526749 | XZIQSOZOLJJMFN-UHFFFAOYSA-N | BDBM50450630 | PYR6 | n-[4-[3, 5-bis(trifluoromethyl)-1h-pyrazol-1-yl]phenyl]-3-fluoro-4-pyridinecarboxamide | NCGC00390662-01 | PD012839 | SCHEMBL7325729 | N-[4-[3, 5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-
Specifications & Purity
Moligand™, ≥98%
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.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC(=CC=C1NC(=O)C2=C(C=NC=C2)F)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
InChIKeyXZIQSOZOLJJMFN-UHFFFAOYSA-N
INCHI1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)
Isomeric SMILES C1=CC(=CC=C1NC(=O)C2=C(C=NC=C2)F)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F
PubChem CID 10598093
Molecular Weight 418.27

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

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAromatic anilides
Alternative Parents Phenylpyrazoles  Pyridinecarboxamides  Aryl fluorides  Vinylogous halides  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aromatic anilide - Phenylpyrazole - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TRPV1 Tclin Vanilloid receptor (8273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRPC3 Tchem Short transient receptor potential channel 3 (70 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ORAI1 Tchem ORAI1/STIM1 (242 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpv1 Transient receptor potential cation channel subfamily V member 1 (45 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
SolubilityDMSO : ≥ 100 mg/mL (239.08 mM)
Molecular Weight418.270 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass418.066 Da
Monoisotopic Mass418.066 Da
Topological Polar Surface Area59.800 Ų
Heavy Atom Count29
Formal Charge0
Complexity577.000
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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