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Sotirimod

CAT: 0931-T16913-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T16913-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
227318-75-4
Target
Others, Virus Protease
Related Pathways
Microbiology/Virology, Others
Purity
0.9587
Bioactivity
Sotirimod (R850) is a novel immunomodulator with antitumor and antiviral activity for the study of actinic keratoses.
Smiles
N1=CC=CC=2N=C(N)C=3N=C(N(C3C12)CC(C)C)C
Molecular Formula
C14H17N5
Molecular Weight
255.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sotirimod
CAS Number227318-75-4
PubChem CID6450818
IUPAC Name2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
Molecular FormulaC14H17N5
Molecular Weight255.32
XLogP2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity321
SMILES
CC1=NC2=C(N1CC(C)C)C3=C(C=CC=N3)N=C2N
InChI
InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)
InChIKey
ZXBCLVSLRUWISJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sotirimod
CAS: 227318-75-4
CID: 6450818
Formula: C14H17N5
MW: 255.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.32
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass255.14839556
Monoisotopic Mass255.14839556
Topological Polar Surface Area69.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3843701-01Sotirimod
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A19244-1Sotirimod 1mg
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A19244-50Sotirimod 50mg

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