LB 11058

CAT: 0931-T202679-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202679-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

591207-81-7

Bioactivity

LB 11058 is a novel injectable cephalosporin featuring a C-3 pyridyl-substituted vinyl sulfide and a C-7 2-amino-5-chloro-1,3-thiazole group. This compound exhibits exceptional activity against Streptococcus pneumoniae and demonstrates similar efficacy against β-hemolytic streptococci. The inhibition pattern for LB 11058 with S. aureus is consistent, as all isolates are inhibited under this pattern.

Smiles

C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\O)/C3=C(Cl)SC(N)=N3)=O)C2=O)(SCC1/C=C/SC4=CC(=O)N=C(N)N4)[H]

Molecular Formula

C18H15ClN8O6S3

Molecular Weight

571.01

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N2E3Pvh36G

CAS Number	591207-81-7
PubChem CID	9872839
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-2-[(2-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C18H15ClN8O6S3
Molecular Weight	571.0
XLogP	0.8
Topological Polar Surface Area	305
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Heavy Atom Count	36
Formal Charge	0
Complexity	1170

SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)O)/C=C/SC4=CC(=O)NC(=N4)N

InChI

InChI=1S/C18H15ClN8O6S3/c19-12-8(25-18(21)36-12)9(26-33)13(29)24-10-14(30)27-11(16(31)32)5(4-35-15(10)27)1-2-34-7-3-6(28)22-17(20)23-7/h1-3,10,15,33H,4H2,(H2,21,25)(H,24,29)(H,31,32)(H3,20,22,23,28)/b2-1+,26-9-/t10-,15-/m1/s1

InChIKey

POXQRKGEFBKVOI-OKDNWOHVSA-N

Chemical Structure

2D Structure

CAS: 591207-81-7

CID: 9872839

Formula: C18H15ClN8O6S3

MW: 571.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	571.0
XLogP3	0.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Exact Mass	569.9965214
Monoisotopic Mass	569.9965214
Topological Polar Surface Area	305 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19241855-01	LB 11058

LB 11058

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