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Q-203 Ditosylate

CAT: 0931-T28480Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28480Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1566517-83-6
Target
Others, Antibacterial, Antibiotic
Related Pathways
Others, Microbiology/Virology
Bioactivity
Q-203 Ditosylate, also known as Q-203, is a mycobacterium tuberculosis protein potentially for the treatment of tuberculosis. The optimized IPA compound Q203 inhibited the growth of MDR and XDR M. tuberculosis clinical isolates in culture broth medium in the low nanomolar range and was efficacious in a mouse model of tuberculosis at a dose less than 1 mg per kg body weight, which highlights the potency of this compound.
Smiles
O=C(C1=C(CC)N=C2C=CC(Cl)=CN21)NCC3=CC=C(N4CCC(CC4)C5=CC=C(C=C5)OC(F)(F)F)C=C3.O=S(O)(C6=CC=C(C)C=C6)=O.O=S(O)(C7=CC=C(C)C=C7)=O
Molecular Formula
C43H44ClF3N4O8S2
Molecular Weight
901.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Telacebec ditosylate
CAS Number1566517-83-6
PubChem CID91617801
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;bis(4-methylbenzenesulfonic acid)
Molecular FormulaC43H44ClF3N4O8S2
Molecular Weight901.4
Topological Polar Surface Area184
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count61
Formal Charge0
Complexity1000
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.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C29H28ClF3N4O2.2C7H8O3S/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;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);2*2-5H,1H3,(H,8,9,10)
InChIKey
CCGFTOLSNJBYDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telacebec ditosylate
CAS: 1566517-83-6
CID: 91617801
Formula: C43H44ClF3N4O8S2
MW: 901.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight901.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass900.2241189
Monoisotopic Mass900.2241189
Topological Polar Surface Area184 Ų
Heavy Atom Count61
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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