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| CAS No.: | 24305-27-9 |
|---|---|
| Name: | Protirelin |
| Molecular Structure: | |
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| Formula: | C16H22N6O4 |
| Molecular Weight: | 362.388 |
| Synonyms: | Abbott 38579;Abbott-38579;Abbott38579;Antepan;Hydrate, Proterelin Tartrate;Prem, TRH;Proterelin Tartrate;Proterelin Tartrate Hydrate;Protirelin;Protirelin Tartrate (1:1);Relefact TRH;Stimu TSH;Stimu-TSH;StimuTSH;Tartrate Hydrate, Proterelin;Thypinone;Thyroliberin;Thyroliberin TRH Merck;Thyrotropin Releasing Factor;Thyrotropin Releasing Hormone;Thyrotropin Releasing Hormone Tartrate;Thyrotropin-Releasing Factor;Thyrotropin-Releasing Hormone;Thyrotropin-Releasing Hormone Tartrate;TRH Ferring;TRH Prem;TRH, Relefact |
| EINECS: | 246-143-4 |
| Density: | 1.421 g/cm3 |
| Boiling Point: | 978.4 °C at 760 mmHg |
| Flash Point: | 545.5 °C |
| Solubility: | 10 mg/mL in water |
| Appearance: | COA |
| Safety: | 22-24/25 |
| PSA: | 144.49000 |
| LogP: | -0.55120 |
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Specification
Protirelin is one kind of white powder. The IUPAC Name of this chemical is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide. Besides, Protirelin belongs to Peptide. Protirelin can soluble in water whose solubility is 10 mg/mL in water.
Physical properties about Protirelin are: (1)ACD/LogP: -3.011; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4.51; (4)ACD/LogD (pH 7.4): -3.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 88.974 cm3; (14)Molar Volume: 254.851 cm3; (15)Polarizability: 35.272 10-24cm3; (16)Surface Tension: 74.859001159668 dyne/cm; (17)Density: 1.422 g/cm3; (18)Flash Point: 545.494 °C; (19)Enthalpy of Vaporization: 142.758 kJ/mol; (20)Boiling Point: 978.363 °C at 760 mmHg
Uses of Protirelin: Protirelin(CAS NO.24305-27-9) inspired the role of anterior pituitary secretion of thyroid-stimulating hormone and cause the release of prolactin. Used in biochemical research and clinical diagnosis of hypothalamic-pituitary-thyroid dysfunction in a reference indicator.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12+/m0/s1;
(2)InChIKey=XNSAINXGIQZQOO-SDDRHHMPSA-N;
(3)SmilesN1([C@@H](CCC1)C(N)=O)C([C@@H](Cc1c[nH]cn1)NC([C@@H]1CCC(N1)=O)=O)=O;
The toxicity data is as follows:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source man TDLo intravenous 5333ng/kg/2M- (.005333mg/kg) BEHAVIORAL: COMA
VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTIONBritish Medical Journal. Vol. 287, Pg. 532, 1983.
man TDLo intravenous 5714ng/kg/1M- (.005714mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA
CARDIAC: PULSE RATE
BEHAVIORAL: COMAMedical Journal of Australia. Vol. 143, Pg. 264, 1985.
mouse LD50 intravenous 921mg/kg (921mg/kg) Drugs in Japan Vol. 6, Pg. 727, 1982. mouse LD50 oral > 10gm/kg (10000mg/kg) Drugs in Japan Vol. 6, Pg. 727, 1982. mouse LD50 subcutaneous > 20gm/kg (20000mg/kg) Drugs in Japan Vol. 6, Pg. 727, 1982. rat LD50 intravenous 514mg/kg (514mg/kg) Drugs in Japan Vol. 6, Pg. 727, 1982. rat LD50 oral > 5gm/kg (5000mg/kg) Drugs in Japan Vol. 6, Pg. 727, 1982. rat LD50 subcutaneous > 10gm/kg (10000mg/kg) Drugs in Japan Vol. 6, Pg. 727, 1982. women TDLo intravenous 8ug/kg/2M-C (.008mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BPBritish Medical Journal. Vol. 287, Pg. 532, 1983.