Products for Research Use Only
RegisterLogin

Mycobactin-IN-1

CAT: 0804-HY-145301-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-145301-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Mycobactin-IN-1 (compound 44), a pyrazoline analogue, is a mycobactin biosynthesis inhibitor against mycobacteria. Mycobactin-IN-1 binds to salicyl-AMP ligase (MbtA), a key enzyme in the mycobactin biosynthetic pathway[1].
CAS Number
65840-95-1
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/mycobactin-in-1.html
Purity
98.96
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C(C2NN=C(C2)C3=C(O)C=CC=C3)C=C1
Molecular Formula
C15H13ClN2O
Molecular Weight
272.73
References & Citations
[1]Mousumi Shyam, et al. Mycobactin Analogues with Excellent Pharmacokinetic Profile Demonstrate Potent Antitubercular Specific Activity and Exceptional Efflux Pump Inhibition.J Med Chem. 2022 Jan 13;65 (1) :234-256.
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

2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CAS Number65840-95-1
PubChem CID4738346
IUPAC Name2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
Molecular FormulaC15H13ClN2O
Molecular Weight272.73
XLogP3.6
Topological Polar Surface Area44.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity339
SMILES
C1C(NN=C1C2=CC=CC=C2O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2O/c16-11-7-5-10(6-8-11)13-9-14(18-17-13)12-3-1-2-4-15(12)19/h1-8,13,17,19H,9H2
InChIKey
BMOZIGVHPNPVGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CAS: 65840-95-1
CID: 4738346
Formula: C15H13ClN2O
MW: 272.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.73
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass272.0716407
Monoisotopic Mass272.0716407
Topological Polar Surface Area44.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-145302Mycobactin-IN-2
HY-N6838-011,1,1,1-Kestohexaose
HY-157129AMPK-α1β1γ1 activator 1
HY-1336231,1,1-Tribromoacetone
HY-149536TWIK-1/TREK-1-IN-1
HY-W160628S1,1,1-Trimethoxypropane-d5
HY-133630-011-Bromo-1,1-dichloroacetone
HY-1336291,1,1,3-Tetrachloroacetone
HY-W881439-011- (1,1-Dimethylethyl) tridecanedioate
HY-W032015S11-Bromooctane-1,1-d2

Alternative Products

CatalogName
GTR19187987-01Mycobactin-IN-1
MBS5803552Mycobactin-IN-2
T33537Mycobactin P
T33538Mycobactin S
OF59775-011,1,1,1,1-Kestoheptaose
N2864-5.11,1,1,1-Kestohexaose
1120401,1,1,1-Kestohexose

Popular Products