Ceftaroline

CAT: 0804-HY-105049-04Size: 25 mgDry Ice: YesHazardous: No

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CAT#:0804-HY-105049-04Size:25 mg

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Description

T-91825 (PPI-0903M), an N-phosphono-type cephalosporin, is the active form of TAK-599. T-91825 is active against both gram-positive and gram-negative bacteria[1][2].

CAS Number

189345-04-8

Product Name Alternative

T-91825; PPI-0903M

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/t-91825.html

Purity

98.53

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

C[N+]1=CC=C(C2=CSC(SC(CS[C@]3([H])[C@@H]4NC(/C(C5=NSC(N)=N5)=N\OCC)=O)=C(C([O-])=O)N3C4=O)=N2)C=C1

Molecular Formula

C22H20N8O5S4

Molecular Weight

604.70

References & Citations

[1]Sader HS, et, al. Antimicrobial activity and spectrum of PPI-0903M (T-91825), a novel cephalosporin, tested against a worldwide collection of clinical strains. Antimicrob Agents Chemother. 2005 Aug;49 (8) :3501-12.|[2]Iizawa Y, et, al. In vitro antimicrobial activity of T-91825, a novel anti-MRSA cephalosporin, and in vivo anti-MRSA activity of its prodrug, TAK-599. J Infect Chemother. 2004 Jun;10 (3) :146-56.

Shipping Conditions

Dry Ice

Storage Conditions

-80°C, stored under nitrogen

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Pyridinium, 4-(2-(((6R,7R)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)thio)-4-thiazolyl)-1-methyl-, inner salt

Ceftaroline is a cephalosporin that is the active metabolite of the prodrug ceftaroline fosamil. Used for the treatment of adults with acute bacterial skin and skin structure infections. It has a role as an antimicrobial agent, an antibacterial drug and a drug metabolite. It is a cephalosporin, an iminium betaine, an oxime O-ether, a member of thiadiazoles and a member of 1,3-thiazoles.

CAS Number	189345-04-8
PubChem CID	9938701
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula	C22H20N8O5S4
Molecular Weight	604.7
XLogP	3.3
Topological Polar Surface Area	287
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	1040

SMILES

CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-]

InChI

InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1

InChIKey

RGFBRLNVZCCMSV-BIRGHMBHSA-N

Chemical Structure

2D Structure

CAS: 189345-04-8

CID: 9938701

Formula: C22H20N8O5S4

MW: 604.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	604.7
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	604.04395046
Monoisotopic Mass	604.04395046
Topological Polar Surface Area	287 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
314215	Ceftaroline fosamil
FC180242	Ceftaroline dihydrochloride
GTR19277407-01	Ceftaroline hydrochloride
TRC-D344420-50MG	Desmethyl Ceftaroline Fosamil
AC163651-01	Ceftaroline fosamil acetate
AR-Z00978-01	Ceftaroline Fosamil Impurity

Ceftaroline

Chemical Information

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