Ska-31

HCID 94880
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Basic information

CAS
40172-65-4
Standard SMILES
Nc1nc2c(ccc3ccccc32)s1
InChIKey
FECQXVPRUCCUIL-UHFFFAOYSA-N
Molecular formula
C11H8N2S
Average molar mass
200.26 g/mol
Monoisotopic mass
200.04081926

Overview

SKA-31 is a naphthothiazole. It has a role as an antihypertensive agent and a potassium channel modulator.

Names & identifiers

Preferred name
Ska-31
IUPAC
benzo[e][1,3]benzothiazol-2-amine
English name
2-Amino-beta-naphthothiazole
Molecular formula
C11H8N2S
Molecular weight
200.26

Names & synonyms

SKA-31benzo[e][1,3]benzothiazol-2-aminebenzo(e)(1,3)benzothiazol-2-amineRefChem:46516740172-65-4Naphtho[1,2-d]thiazol-2-amine2-Amino-beta-naphthothiazoleNaphtho[1,2-d]thiazol-2-ylamineSKA 312-Aminonaphthiazolenaphtho[1,2-d][1,3]thiazol-2-amineMFCD00051329
Show more names
-2-amineSKA-31【S5576】AKOS BBS-00006561IFLAB-BB F1386-0401naphtho[1,2-d]thiazoLSKA-31, 10 mM in DMSOLABOTEST-BB LT001545702-Amino-β-naphthothiazole2-AMINONAPHTHO-1,2-THIAZOLE
2-Aminonaphtho(1,2-d)thiazole2-Aminonaphtho[1,2-d]thiazoleSW12CAS9T72-Amino-.beta.-naphthothiazoleNaphtho(1,2-d)thiazol-2-amineNSC-6278F1386-0401A1C3Q

Database identifiers

CAS
40172-65-4
PubChem CID
94880
DTXSID
DTXSID2068216
ChEMBL
CHEMBL1709719
ChEBI
CHEBI:233330
UNII
SW12CAS9T7
EC Number
254-822-1
Nikkaji
J308.261J

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

Experimental & physicochemical properties

Solubility27.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
184 · 184-188°C
Boiling point
417.1 · 417.1±28.0 °C(Predicted)
Density
1.403 · 1.403±0.06 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Sealed in dry,2-8°C
solubility
30 mg/mL · DMSO: ≥30mg/mL
form
solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
WGK 3
tsca
TSCA listed
risk_code
20/21/22-36/37/38-36-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationNaphtho[1,2-d]thiazol-2-amine: INACTIVE
Applications · 2 items

DescriptionSKA-31 (40172-65-4) is a KCa3.1 and KCa2 potassium channel activator (EC50 =260, 2900, 2900 nM for KCa3.1, KCa2.1 and KCa2.2 respectively). Enhanced acetylcholine-induced EDHF dilator response in mouse carotid arteries and lowers blood pressure in mouse models at 30 mg/Kg.1,2 Evokes robust vasodilation in rat mesenteric arteries.3

UsesSKA-31 is a potent potassium channel activator with EC50s of 260 nM, 1.9 μM, 2.9 μM, and 2.9 μM for KCa3.1, KCa2.2, KCa2.1 and KCa2.3, respectively. SKA-31 potentiates endothelium-derived hyperpolarizing factor response and lowers blood pressure[1].

Upstream & downstream products

Suppliers53 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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