Cav 2.2 blocker 1 - 10mM in DMSO , CAS No.1567335-29-8

CAS: 1567335-29-8 Cat. No.: C421875 分子式: C25H29ClN2O2 分子量: 424.96
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
compound 91H-​Pyrazole,5-​(4-​chlorophenyl)​-​1-​(2-​methoxyphenyl)​-​3-​(tetrahydro-​2,​2,​6,​6-​tetramethyl-​2H-​pyran-​4-​yl)​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
ドイツ (EU)*
Price
Qty
1ml
C421875-1ml
2 在庫あり
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$164.90

$241.90
保存 $77.00 (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

概要

Information

Cav 2.2 blocker 1 Cav 2.2 blocker 1 (compound 9) is a N-type calcium channel (Cav 2.2) blocker for the treatment of pain with IC50 of 0.001 μM.

Targets

Cav 2.2 (Cell-free assay) 0.001 μM

Specifications

同義語
compound 91H-​Pyrazole,5-​(4-​chlorophenyl)​-​1-​(2-​methoxyphenyl)​-​3-​(tetrahydro-​2,​2,​6,​6-​tetramethyl-​2H-​pyran-​4-​yl)​-
仕様と純度
10mM in DMSO
生化学的・生理学的メカニズム
Cav 2.2 blocker 1 (compound 9) is a N-type calcium channel (Cav 2.2) blocker for the treatment of pain with IC50 of 0.001 μM.
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
INHIBITOR
製品の性質
ALogP
6.318
hba_count
3
回転可能な結合
4
名前と識別子
パブケム・シド
カノニカル・スマイル
CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C
IUPAC Name
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole
InChIKey
LDURKOGJFOYENC-UHFFFAOYSA-N
INCHI
1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3
異性体SMILES
CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C
分子量
424.96
Reaxy-Rn
26613042
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26613042&ln=

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
SuperclassOrganoheterocyclic compounds
分類Azoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Methoxyanilines  Phenoxy compounds  Methoxybenzenes  Anisoles  Chlorobenzenes  Alkyl aryl ethers  Oxanes  Aryl chlorides  Heteroaromatic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpyrazole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Oxane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
CACNA1B Tclin Voltage-dependent N-type calcium channel subunit alpha-1B (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1B Tclin Voltage-gated N-type calcium channel alpha-1B subunit (743 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cacna1c Voltage-gated L-type calcium channel (1164 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
DMSO(mg / mL) 最大溶解度12
DMSO(mM) 最大溶解度28.2379518072289
水(mg / mL) 最大溶解度<1
分子量425.000 g/mol
XLogP35.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass424.192 Da
Monoisotopic Mass424.192 Da
Topological Polar Surface Area36.300 Ų
Heavy Atom Count30
Formal Charge0
Complexity559.000
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
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ソリューション計算機
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