Products for Research Use Only
RegisterLogin

HDHODH-IN-3

CAT: 0804-HY-135570-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-135570-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HDHODH-IN-3 (compound 21d) is a human dihydroorotate dehydrogenase (HsDHODH) inhibitor, inhibits measles virus replication with a pMIC50 value of 8.6[1].
CAS Number
1644156-80-8
UNSPSC
12352005
Target
Dihydroorotate Dehydrogenase; DNA/RNA Synthesis; Influenza Virus
Type
Reference compound
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/dhodh-in-2.html
Purity
99.97
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
CCC1=CN=C(N2N=C(OCC)C(OC3=CC=CC=C3Br)=C2C)N=C1
Molecular Formula
C18H19BrN4O2
Molecular Weight
403.27
References & Citations
[1]Lucas-Hourani M, et al. Original 2- (3-Alkoxy-1H-pyrazol-1-yl) azines Inhibitors of Human Dihydroorotate Dehydrogenase (DHODH) .J Med Chem. 2015 Jul 23;58 (14) :5579-98.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

hDHODH-IN-3
CAS Number1644156-80-8
PubChem CID118430627
IUPAC Name2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-ethylpyrimidine
Molecular FormulaC18H19BrN4O2
Molecular Weight403.3
XLogP4.6
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity409
SMILES
CCC1=CN=C(N=C1)N2C(=C(C(=N2)OCC)OC3=CC=CC=C3Br)C
InChI
InChI=1S/C18H19BrN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3
InChIKey
SNDPFEDGFPXNIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hDHODH-IN-3
CAS: 1644156-80-8
CID: 118430627
Formula: C18H19BrN4O2
MW: 403.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass402.06914
Monoisotopic Mass402.06914
Topological Polar Surface Area62.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity409
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

Related Products

CatalogName
HY-157153HDHODH-IN-14
HY-135654HDHODH-IN-2
HY-145261HDHODH-IN-8
HY-135658-01HDHODH-IN-1
HY-151381HDHODH-IN-10
HY-135667HDHODH-IN-7
HY-159119HDHODH-IN-15
HY-149642-01HDHODH-IN-13
HY-173354HDHODH-IN-17
HY-147788HDHODH-IN-9

Alternative Products

CatalogName
T11025-01HDHODH-IN-3
BA7298-5hDHODH-IN-13
BA4054-10hDHODH-IN-1
T88973-01HDHODH-IN-15
T63238-01hDHODH-IN-8
T11031-01HDHODH-IN-7
MBS5815189hDHODH-IN-11
BUP16207-01HDHODH-IN-4
GTR19176806-01HDHODH-IN-5
MBS5805712hDHODH-IN-10

Popular Products