CAS 83805-11-2|Falecalcitriol
Introduction：Basic information about CAS 83805-11-2|Falecalcitriol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Falecalcitriol | ||
|---|---|---|---|
| CAS Number | 83805-11-2 | Molecular Weight | 524.579 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 576.9±50.0 °C at 760 mmHg |
| Molecular Formula | C27H38F6O3 | Melting Point | / |
| MSDS | / | Flash Point | 302.7±30.1 °C |
Names
| Name | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
|---|---|
| Synonym | More Synonyms |
Falecalcitriol BiologicalActivity
| Description | Falecalcitriol(Fulstan; Hornel) is an analog of calcitriol; has a higher potency both in vivo and in vitro systems, and longer duration of action in vivo. |
|---|---|
| Related Catalog | Signaling Pathways >>Vitamin D Related >>VD/VDRResearch Areas >>Metabolic Disease |
| References | [1]. Ito H, Ogata H, Yamamoto M, Takahashi K, Shishido K, Takahashi J, Taguchi S, Kinugasa E. Comparison of oral falecalcitriol and intravenous calcitriol in hemodialysis patients with secondary hyperparathyroidism: a randomized, crossover trial. Clin Nephro [2]. Tokunaga M, Tamura M, Kabashima N, Serino R, Shibata T, Matsumoto M, Miyamoto T, Miyazaki M, Furuno Y, Takeuchi M, Abe H, Okazaki M, Otsuji Y. Falecalcitriol for conventional vitamin D therapy-resistant secondary hyperparathyroidism in a continuous ambul [3]. Iwao Y, Yamaguchi Y, Fujii K, Toba Y, Asada M, Nagano N, Yamamoto H, Hyoma K, Yamada S, Hirano H, Tone Y, Ohtani H, Saika Y, Fujii R. Long-term suppressive effect of falecalcitriol on parathyroid hormone secretion in secondary hyperparathyroidism in hemo [4]. Morii H. Falecalcitriol as a new therapeutic agent for secondary hyperparathyroidismClin Calcium. 2005 Jan;15(1):29-33. [5]. Ohtsuka N, Urayama K. Pharmacological action and clinical effects of falecalcitriol, a highly potent derivative of active vitamin D3.Nihon Yakurigaku Zasshi. 2002 Dec;120(6):427-36. [6]. Jean-Pierre Bégué, Danièle Bonnet-Delpon.Recent advances (1995-2005) in fluorinated pharmaceuticals based on natural products. Journal of Fluorine Chemistry.Volume 127, Issue 8, August 2006, Pages 992-1012 |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 576.9±50.0 °C at 760 mmHg |
| Molecular Formula | C27H38F6O3 |
| Molecular Weight | 524.579 |
| Flash Point | 302.7±30.1 °C |
| Exact Mass | 524.272522 |
| PSA | 60.69000 |
| LogP | 7.87 |
| Vapour Pressure | 0.0±3.6 mmHg at 25°C |
| Index of Refraction | 1.505 |
| InChIKey | XPYGGHVSFMUHLH-UUSULHAXSA-N |
| SMILES | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(O)(C(F)(F)F)C(F)(F)F)CC(O)CC1O |
| Storage condition | 2-8℃ |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 41700 ng/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2695,1996
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2695,1996
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 55 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - body temperature decrease
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2695,1996
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 5 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - nausea or vomiting
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2695,1996 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2700 ng/kg/90D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - urine volume increased Nutritional and Gross Metabolic - changes in calcium
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2709,1996
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1016 ng/kg/53W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes in urine composition Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - changes in calcium
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2759,1996
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 26400 ng/kg/84D-I
- TOXIC EFFECTS :
- Behavioral - muscle weakness Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2739,1996
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 29200 ng/kg/1Y-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - urine volume increased Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 30,2791,1996
Synonyms
| Falecalcitriol |
| ST-630 |
| (+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1a,3b,25-triol |
| 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R)-6,6,6-trifluoro-5-hydroxy-1-methyl-5-(trifluoromethyl)hexyl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)- |
| Hornel |
| Fulstan |
| Ro 23-4194 |
| (1S,3R,5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Hexafluorocalcitriol |
| Hornel,Fulstan |
| Flocalcitriol |
| calcitriol hexafluoride |
