Halofuginone Lactate CAS#: 82186-71-8; 凯望编码 (ChemWhat Code): 1191677

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Halofuginone Lactate
IUPAC Name7-bromo-6-chloro-3-[3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;2-hydroxypropanoic acid
分子结构HALOFUGINONE-LACTATE-CAS-82186-71-8
CAS编号 82186-71-8
MDL NumberMFCD00144429
别名SCHEMBL2562822; CHEMBL1162014; C-22970; 7-bromo-6-chloro-3-(3-((2S,3R)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one 2-hydroxypropanoate; Halocur; Stenorol; Tempostatin
分子式C19H23BrClN3O6
分子量504.8
InChIInChI=1S/C16H17BrClN3O3.C3H6O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;1-2(4)3(5)6/h5-6,8,14-15,19,23H,1-4,7H2;2,4H,1H3,(H,5,6)/t14-,15+;/m0./s1
InChI KeyGATQERNJKZPJNX-NUNOUFIPSA-N
Canonical SMILESCC(C(=O)O)O.C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
Isomeric SMILESCC(C(=O)O)O.C1C[C@H](C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
Patent Information
No data available

Physical Data

AppearanceWhite or off-white powder
Melting Point>70°C dec.
Boiling Point595.8 °C at 760 mmHg
Flash Point314.1 °C
SolubilityDMSO : 9 mg/mL (21.70 mM; Need ultrasonic and warming)

Spectra

Halofuginone Lactate CAS#: 82186-71-8 IRIR of Halofuginon Lactate CAS 82186-71-8
Halofuginone Lactate CAS#: 82186-71-8 MSMS of Halofuginon Lactate CAS 82186-71-8

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)corrosionskullexclamation-markhealth-hazardenvironment Halofuginone Lactate CAS#: 82186-71-8
SignalDanger
GHS Hazard StatementsH300: Fatal if swallowed [Danger Acute toxicity, oral]
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H310: Fatal in contact with skin [Danger Acute toxicity, dermal]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H330: Fatal if inhaled [Danger Acute toxicity, inhalation]
H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Information may vary between notifications depending on impurities, additives, and other factors. 
Precautionary Statement CodesP201, P202, P260, P261, P262, P264, P270, P271, P272, P273, P280, P281, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P314, P320, P321, P322, P330, P332+P313, P333+P313, P361, P362, P363, P391, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationEnvironmentally hazardous substance, solid, n.o.s. ; Class 9; Packaging Group: III; UN Number: 3077
Under the room temperature and away from light
HS Code294200
StorageKeep container tightly sealed in cool, well-ventilated area. Keep away from direct sunlight and sources of ignition. Recommended storage temperature:
-20°C 3 years
4°C 2 years
Shelf Life
Market PriceUSD 2300/kg
Use Pattern
Halofuginone Lactate CAS#: 82186-71-8 is used fvor the treatment of scleroderma, cancer, and restenosis.
Halofuginone Lactate CAS#: 82186-71-8 is a low molecular weight quinazolinone alkaloid, and a potent inhibitor of collagen alpha1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also effectively suppresses tumor progression and metastasis in mice. Collgard Biopharmaceuticals is developing halofuginone for the treatment of scleroderma and received orphan drug designation from the U.S. Food and Drug Administration in March, 2000.
Halofuginone (RU-19110) is a less-toxic form of Febrifugine, which is isolated from the plant Dichroa febrifuga. Halofuginone inhibits prolyl-tRNA synthetase in an ATP-dependent manner with a Ki of 18.3 nM. Halofuginone attenuates osteoarthritis (OA) by inhibition of TGF-β activity.
Halofuginone is a potent inhibitor of collagen a1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also suppresses extracellular matrix deposition and cell proliferation. The profound antitumoral effect of halofuginone is attributed to its combined inhibition of the tumor stromal support, vascularization, invasiveness, and cell proliferation.

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