Tigecycline (hydrate)

CAT: 0804-HY-B0117D-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0117D-01Size:5 mg

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Description

Tigecycline (GAR-936) hydrate is a broad-spectrum glycylcycline antibiotic. The mean inhibitory concentration (MIC) of Tigecycline hydrate for E. coli (MG1655 strain) is approximately 125 ng/mL[1]. MIC50 and MIC90 are 1 and 2 mg/L for Acinetobacter baumannii (A. baumannii), respectively[2].

CAS Number

1229002-07-6

Product Name Alternative

GAR-936 (hydrate)

UNSPSC

12352005

Hazard Statement

H317, H318, H360, H410

Target

Antibiotic; Autophagy; Bacterial

Type

Reference compound

Related Pathways

Anti-infection; Autophagy

Applications

Cancer-programmed cell death

Field of Research

Cancer; Infection

Assay Protocol

https://www.medchemexpress.com/tigecycline-hydrate.html

Purity

99.51

Solubility

10 mM in DMSO

Smiles

O=C(C(C1=O)=C(O)[C@@H](N(C)C)[C@]2([H])C[C@]3([H])CC4=C(C(C3=C(O)[C@@]21O)=O)C(O)=C(NC(CNC(C)(C)C)=O)C=C4N(C)C)N.O.[x]

Molecular Formula

C29H39N5O8.xH2O

Precautions

H317, H318, H360, H410

References & Citations

[1]Jitkova Y, et al. A novel formulation of tigecycline has enhanced stability and sustained antibacterial and antileukemic activity. PLoS One. 2014 May 28;9 (5) :e95281.|[2]Falagas ME, et al. Activity of TP-6076 against carbapenem-resistant Acinetobacter baumannii isolates collected from inpatients in Greek hospitals. Int J Antimicrob Agents. 2018 Aug;52 (2) :269-271.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Tigecycline hydrate

CAS Number	1229002-07-6
PubChem CID	71312020
IUPAC Name	(4S,4aS,5aR,12aR)-9-[[2-(tert-butylamino)acetyl]amino]-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate
Molecular Formula	C29H41N5O9
Molecular Weight	603.7
Topological Polar Surface Area	207
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	43
Formal Charge	0
Complexity	1240

SMILES

CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C.O

InChI

InChI=1S/C29H39N5O8.H2O/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36;/h10,12,14,21,31,36-37,40,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35);1H2/t12-,14-,21-,29-;/m0./s1

InChIKey

SUGZODNQTKYJAW-KXLOKULZSA-N

Chemical Structure

2D Structure

CAS: 1229002-07-6

CID: 71312020

Formula: C29H41N5O9

MW: 603.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	603.7
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	603.29042790
Monoisotopic Mass	603.29042790
Topological Polar Surface Area	207 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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HY-B0117R-01	Tigecycline (Standard)
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T38613	Tigecycline hydrate
A5226-5	Tigecycline

Tigecycline (hydrate)

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