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FK-906 HCl

CAT: 0931-T70522-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70522-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150679-23-5
Target
Others
Related Pathways
Others
Bioactivity
FK-906 HCl is a human renin inhibitor used for the long-term treatment of patients with essential hypertension.
Smiles
Cl.CC(C)CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)OC(=O)N(C)CCN(C)C(=O)N1CCOCC1
Molecular Formula
C40H64ClN7O7
Molecular Weight
790.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FK 906

an orally active human renin inhibitor; used for the long-term treatment of patients with essential hypertension; structure given in first source

CAS Number150679-23-5
PubChem CID6918227
IUPAC Name[(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl] N-methyl-N-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamate;hydrochloride
Molecular FormulaC40H64ClN7O7
Molecular Weight790.4
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count55
Formal Charge0
Complexity1160
SMILES
CC(C)CC[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)OC(=O)N(C)CCN(C)C(=O)N4CCOCC4)O.Cl
InChI
InChI=1S/C40H63N7O7.ClH/c1-29(2)16-17-35(48)33(24-30-12-8-6-9-13-30)43-37(49)34(26-32-27-41-28-42-32)46(5)38(50)36(25-31-14-10-7-11-15-31)54-40(52)45(4)19-18-44(3)39(51)47-20-22-53-23-21-47;/h7,10-11,14-15,27-30,33-36,48H,6,8-9,12-13,16-26H2,1-5H3,(H,41,42)(H,43,49);1H/t33-,34-,35-,36-;/m0./s1
InChIKey
MBTHCNKHNNGZGE-GIOOZNHKSA-N
Chemical Structure
2D Structure
2D structure of FK 906
CAS: 150679-23-5
CID: 6918227
Formula: C40H64ClN7O7
MW: 790.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight790.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass789.4555751
Monoisotopic Mass789.4555751
Topological Polar Surface Area161 Ų
Heavy Atom Count55
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19209558-01FK-906 HCl
E1KS1091OSI-906
C07508-10mM/1mLLinsitinib (OSI-906)
MBS578593OSI-906 (Linsitinib)
A11053-10Linsitinib (OSI-906) 10mg
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044815-01FK-866
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