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ABT 639 - ≥98%(HPLC), high purity , Voltage-gated T-type calcium channel alpha-1H subunit blocker, CAS No.1235560-28-7, Voltage-gated T-type calcium channel alpha-1H subunit blocker

COA

Grade & Purity:

Moligand™

≥98%(HPLC)

Cas Number: 1235560-28-7
Molecular Weight: 455.91
PubChem CID: 46851313
PubChem SID: 504770815

In stock

Item Number

A287699

Grouped product items
SKU	Size	Availability	Price
A287699-5mg	5mg	2	$127.90
A287699-10mg	10mg	2	$216.90
A287699-25mg	25mg	2	$424.90
A287699-50mg	50mg	2	$682.90
A287699-100mg	100mg	2	$1,107.90

CaV3.2 and CaV3.1 channel blocker

View related series

Calcium Channel (223) Cav3.1 Channel blocker (9) Cav3.2 Channel blocker (10) Cav3.3 Channel blocker (9) Ion channel (2197) Membrane Transporter/Ion Channel (1822) Neuronal Signaling (3320)

Basic Description

Synonyms	AKOS030526344 \| AGPIHNZOZNKRGT-CYBMUJFWSA-N \| Benzenesulfonamide, 4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[[(8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]carbonyl]- \| HY-19721 \| BDBM50095309 \| ABT 639 \| 4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[(8aR)-hexahyd
Specifications & Purity	Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms	CaV3.2 channel blocker (IC50= 2.3 μM). Also blocks low voltage-activated (CaV3.1) currents in native rat DRG neurons (IC50= 7.6 μM). Exhibits little or no activity at other ion channels and receptors. Displays antinociceptive effects in a mechanical hyper
Storage Temp	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	CHANNEL BLOCKER
Mechanism of action	Voltage-gated T-type calcium channel alpha-1H subunit blocker

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Sulfanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Sulfanilides
Intermediate Tree Nodes	Not available
Direct Parent	Sulfanilides
Alternative Parents	Benzenesulfonamides 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives N-alkylpiperazines Fluorobenzenes Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Aryl fluorides Organosulfonamides Aminosulfonyl compounds Tertiary carboxylic acid amides Vinylogous halides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Sulfanilide - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzenesulfonamide - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - N-alkylpiperazine - Aryl fluoride - 1,4-diazinane - Organosulfonic acid amide - Aryl halide - N-alkylpyrrolidine - Piperazine - Aryl chloride - Vinylogous halide - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Amine - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
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

Associated Targets(Human)

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 (1 Activities)

Discover Target: CACNA1I

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

Names and Identifiers

Pubchem Sid	504770815
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770815
IUPAC Name	5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
INCHI	InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1
InChIKey	AGPIHNZOZNKRGT-CYBMUJFWSA-N
Smiles	C1CC2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F
Isomeric SMILES	C1C[C@@H]2CN(CCN2C1)C(=O)C3=CC(=C(C=C3Cl)F)S(=O)(=O)NC4=CC=CC=C4F
PubChem CID	46851313
Molecular Weight	455.91

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2226423	Certificate of Analysis	Jan 08, 2025	A287699
C2226362	Certificate of Analysis	Jan 08, 2025	A287699
C2226441	Certificate of Analysis	Jan 08, 2025	A287699
C2226437	Certificate of Analysis	Jan 08, 2025	A287699
C2226361	Certificate of Analysis	Jan 08, 2025	A287699
L2419263	Certificate of Analysis	Feb 28, 2022	A287699

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 9.12, Max Conc. mM: 20
Molecular Weight	455.900 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	455.088 Da
Monoisotopic Mass	455.088 Da
Topological Polar Surface Area	78.100 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	737.000
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

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