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Telacebec

CAT: 0804-HY-101040-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101040-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Telacebec (Q203) is a midazopyridine amide compound. Telacebec is active against Mycobacterium tuberculosis H37Rv with an MIC50 of 2.7 nM in culture broth medium.
CAS Number
1334719-95-7
Product Name Alternative
Q203; IAP6
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/telacebec.html
Purity
99.45
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
O=C(C1=C(CC)N=C2C=CC(Cl)=CN21)NCC3=CC=C(N4CCC(C5=CC=C(OC(F)(F)F)C=C5)CC4)C=C3
Molecular Formula
C29H28ClF3N4O2
Molecular Weight
557.01
Precautions
H315, H319, H335
References & Citations
[1]Pethe K, et al. Discovery of Q203, a potent clinical candidate for the treatment of tuberculosis. Nat Med. 2013 Sep;19 (9) :1157-60.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Telacebec

a potent clinical candidate for the treatment of tuberculosis

CAS Number1334719-95-7
PubChem CID68234908
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Molecular FormulaC29H28ClF3N4O2
Molecular Weight557.0
XLogP7.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity796
SMILES
CCC1=C(N2C=C(C=CC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)
InChIKey
OJICYBSWSZGRFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telacebec
CAS: 1334719-95-7
CID: 68234908
Formula: C29H28ClF3N4O2
MW: 557.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.0
XLogP37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass556.1852883
Monoisotopic Mass556.1852883
Topological Polar Surface Area58.9 Ų
Heavy Atom Count39
Formal Charge0
Complexity796
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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555932Telacebec free base
A12310-25Telacebec (Q203) 25mg
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