Introduction：Basic information about CAS 30007-39-7|HEAT hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | HEAT hydrochloride |
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| CAS Number | 30007-39-7 | Molecular Weight | 331.83600 |
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| Density | / | Boiling Point | 492.8ºC at 760mmHg |
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| Molecular Formula | C19H22ClNO2 | Melting Point | / |
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| MSDS | / | Flash Point | 251.9ºC |
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Names
| Name | 2-(4-hydroxyphenyl)ethyl-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]azanium,chloride |
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| Synonym | More Synonyms |
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HEAT hydrochloride BiologicalActivity
| Description | HEAT (BE2254) hydrochloride is a selective alpha 1 adrenergic receptor antagonist. HEAT hydrochloride, a phenethylamine derivative, shows pKis of 9, 9.1, and 8.57 for alpha 1a, alpha 1b and alpha 1c, respectively[1][2]. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorResearch Areas >>Neurological Disease |
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| In Vitro | BE2254 inhibits (-)-noradrenaline-mediated increases in gluconeogenesis with K,sub>B of 0.74 nM[2]. The alpha-1 selective antagonist [125I]BE2254 is used to specifically label a single class of binding sites with a dissociation constant of 131.0 pM and a maximal binding capacity of 17.6 fmol/mg of protein. Catecholamines compete for [125I]BE2254 binding stereospecifically and with the characteristic alpha adrenergic potency series of (-)-epinephrine greater than (-)-norepinephrine much greater than (-)-isoproterenol. The alpha-1 selective antagonist prazosin (Kd=2.4 nM) is much more potent in competing for [125I]BE2254 binding than is the alpha-2 selective antagonist yohimbine (Kd=2900 nM)[3]. |
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| References | [1]. Chiu G, et al. Design and synthesis of an alpha1a-adrenergic receptor subtype-selective antagonist from BE2254. Chem Biol Drug Des. 2006;67(6):437-439. [2]. McPherson GA, et al. A study of alpha 1-adrenoceptors in rat renal cortex: comparison of [3H]-prazosin binding with the alpha 1-adrenoceptor modulating gluconeogenesis under physiological conditions. Br J Pharmacol. 1982;77(1):177-184. [3]. Tsujimoto G, et al. Alpha adrenergic receptors in the rabbit bladder base smooth muscle: alpha-1 adrenergic receptors mediate contractile responses. J Pharmacol Exp Ther. 1986;236(2):384-389. |
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Chemical & Physical Properties
| Boiling Point | 492.8ºC at 760mmHg |
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| Molecular Formula | C19H22ClNO2 |
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| Molecular Weight | 331.83600 |
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| Flash Point | 251.9ºC |
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| Exact Mass | 331.13400 |
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| PSA | 49.33000 |
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| LogP | 4.16250 |
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| InChIKey | VCZXZECZIRGUCZ-UHFFFAOYSA-N |
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| SMILES | Cl.O=C1c2ccccc2CCC1CNCCc1ccc(O)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- QK4750000
- CHEMICAL NAME :
- 1(2H)-Naphthalenone, 3,4-dihydro-2-(((2-p-hydroxyphenyl)ethylamino)methyl) -, hydrochloride
- CAS REGISTRY NUMBER :
- 30007-39-7
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C19-H21-N-O2.Cl-H
- MOLECULAR WEIGHT :
- 331.87
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 650 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 7,231,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 7,231,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 730 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 7,231,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 33 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 7,231,1982
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Synonyms
| HEAT |
| HEAT hydrochloride |
| BE-2254 hydrochloride |
