CAS 4749-61-5|ST 91

Introduction：Basic information about CAS 4749-61-5|ST 91, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. ST 91 BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	ST 91
CAS Number	4749-61-5	Molecular Weight	253.77100
Density	/	Boiling Point	325.1ºC at 760 mmHg
Molecular Formula	C₁₃H₂₀ClN₃	Melting Point	/
MSDS	/	Flash Point	150.4ºC

Names

Name	N-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-3-ium-2-amine,chloride
Synonym	More Synonyms

ST 91 BiologicalActivity

Description	ST91 is a α2-adrenoceptor (α2AR) agonist. ST91 activates both α2AAR and non-α2AAR subtypes to produce spinal antinociception[1][2][3].
Related Catalog	Signaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorResearch Areas >>Neurological Disease
Target	α2-adrenergic receptor
In Vitro	ST91 降低 B16F10 细胞的活力、增殖和线粒体功能[2]。
In Vivo	ST91 (intrathecal administration) 在大鼠体内产生抗伤害作用[1]。
References	[1]. Graham BA, et, al. Synergistic interactions between two alpha(2)-adrenoceptor agonists, dexmedetomidine and ST-91, in two substrains of Sprague-Dawley rats. Pain. 2000 Mar;85(1-2):135-43. [2]. Maccari S, et, al. α-Adrenoceptor stimulation attenuates melanoma growth in mice. Br J Pharmacol. 2022 Apr;179(7):1371-1383. [3]. Stone LS, et, al. ST91 [2-(2,6-diethylphenylamino)-2-imidazoline hydrochloride]-mediated spinal antinociception and synergy with opioids persists in the absence of functional alpha-2A- or alpha-2C-adrenergic receptors. J Pharmacol Exp Ther. 2007 Dec;323(3):899-906.

Chemical & Physical Properties

Boiling Point	325.1ºC at 760 mmHg
Molecular Formula	C₁₃H₂₀ClN₃
Molecular Weight	253.77100
Flash Point	150.4ºC
Exact Mass	253.13500
PSA	36.42000
LogP	2.82190
InChIKey	ZLRWFGBEDNTMEU-UHFFFAOYSA-N
SMILES	CCc1cccc(CC)c1NC1=NCCN1.Cl
Storage condition	-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ2635000

CHEMICAL NAME :: 2-Imidazoline, 2-(2,6-diethylanilino)-, hydrochloride

CAS REGISTRY NUMBER :: 4749-61-5

LAST UPDATED :: 199309

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C13-H19-N3.Cl-H

MOLECULAR WEIGHT :: 253.81

WISWESSER LINE NOTATION :: T5M CN BUTJ BMR BZ F2 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 220 ug/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 11,67,1986

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2400 ug/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - convulsions or effect on seizure threshold Skin and Appendages - hair

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,786,1975 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2800 ug/kg/4W-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - changes in lung weight Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count

REFERENCE :: JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 11,67,1986

Synonyms

5,7-Dichlorokynurenic acid

ST 91

St 91-Cl

C11H16N4

Recommended......