TTA-P2 - Moligand™ , Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3, CAS No.1072018-68-8, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3

CAS: 1072018-68-8 Cat. No.: T614573 Formule: C₂₁H₂₉Cl₂FN₂O₂ Poids moléculaire: 431.38 PubChem CID: 24893979

QUALITÉ & PURETÉ Moligand™

Synonyms

1072018-68-8 | Q27089030 | TTA-P2 | 3,5-dichloro-N-[[4-fluoro-1-[[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]methyl]-4-piperidinyl]methyl]Benzamide | T-210 | GTPL7723 | BDBM50243805 | HY-10035 | T-Type calcium channel inhibitor | 3,5-Dichloro-N-[(1-{[(4S)

Storage

Room temperature

Spécifications

Synonymes

1072018-68-8 | Q27089030 | TTA-P2 | 3,5-dichloro-N-[[4-fluoro-1-[[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]methyl]-4-piperidinyl]methyl]Benzamide | T-210 | GTPL7723 | BDBM50243805 | HY-10035 | T-Type calcium channel inhibitor | 3,5-Dichloro-N-[(1-{[(4S)

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

CHANNEL BLOCKER

Mécanisme d'action

Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3

Noms et identifiants

Sourires canoniques

CC1(CC(CCO1)CN2CCC(CC2)(CNC(=O)C3=CC(=CC(=C3)Cl)Cl)F)C

IUPAC Name

3,5-dichloro-N-[[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-4-fluoropiperidin-4-yl]methyl]benzamide

InChIKey

DKNDOKIVCXTFHJ-HNNXBMFYSA-N

INCHI

1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1

Isomères SMILES

CC1(C[C@H](CCO1)CN2CCC(CC2)(CNC(=O)C3=CC(=CC(=C3)Cl)Cl)F)C

PubChem CID

24893979

Poids moléculaire

431.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Dichlorobenzenes Piperidines Oxanes Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organochlorides Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Oxane - Piperidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Azacycle - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• External Descriptors: Not available

Data sources

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

Cibles associées (humaines)

CACNA1H Tclin Voltage-dependent T-type calcium channel subunit alpha-1H (1 Activities)

Discover Target: CACNA1H

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

CACNA1G Tclin Voltage-dependent T-type calcium channel subunit alpha-1G (1 Activities)

Discover Target: CACNA1G

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

CACNA1I Tclin Voltage-dependent T-type calcium channel subunit alpha-1I (2 Activities)

Discover Target: CACNA1I

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

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (2 Activities)

Discover Target: KCNH2

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

CACNA1H Tclin Voltage-gated T-type calcium channel alpha-1H subunit (1913 Activities)

Discover Target: CACNA1H

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

Discover Target: SCN5A

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

Cibles associées (non humaines)

Cacna1g Voltage-gated T-type calcium channel alpha-1G subunit (1 Activities)

Discover Target: Cacna1g

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

Cacna1i Voltage-gated T-type calcium channel alpha-1I subunit (2 Activities)

Discover Target: Cacna1i

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

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Rhesus monkey (3147 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 431.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 430.159 Da
• Monoisotopic Mass: 430.159 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1072018-68-8, the molecular formula is C21H29Cl2FN2O2, and the molecular weight is 431.38 g/mol. InChIKey DKNDOKIVCXTFHJ-HNNXBMFYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.