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Ronomilast

CAT: 0931-T34387-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T34387-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
418794-42-0
Target
Others
Related Pathways
Others
Purity
0.9923
Bioactivity
Ronomilast (ELB353) can be used in the study of obstructive pulmonary disease.
Smiles
O=C(NC=1C(Cl)=CN=CC1Cl)C(=O)C2=CN(C=3N=CC=CC23)CC4=CC=C(F)C=C4
Molecular Formula
C21H13Cl2FN4O2
Molecular Weight
443.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Elbimilast

Elbimilast is a small molecule drug. The usage of the INN stem '-milast' in the name indicates that Elbimilast is a Phosphodiesterase-4 (PDE4) inhibitor. Elbimilast is under investigation in clinical trial NCT00977886 (Safety and Pharmacokinetics of ELB353 in Healthy Men). Elbimilast has a monoisotopic molecular weight of 442.04 Da.

CAS Number418794-42-0
PubChem CID9803446
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide
Molecular FormulaC21H13Cl2FN4O2
Molecular Weight443.3
XLogP3.9
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity624
SMILES
C1=CC2=C(N=C1)N(C=C2C(=O)C(=O)NC3=C(C=NC=C3Cl)Cl)CC4=CC=C(C=C4)F
InChI
InChI=1S/C21H13Cl2FN4O2/c22-16-8-25-9-17(23)18(16)27-21(30)19(29)15-11-28(20-14(15)2-1-7-26-20)10-12-3-5-13(24)6-4-12/h1-9,11H,10H2,(H,25,27,30)
InChIKey
JERXUPDBWDWFCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elbimilast
CAS: 418794-42-0
CID: 9803446
Formula: C21H13Cl2FN4O2
MW: 443.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass442.0399592
Monoisotopic Mass442.0399592
Topological Polar Surface Area76.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity624
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

Alternative Products

CatalogName
MBS5783893Ronomilast

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