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Teglarinad chloride 5mg

CAT: 0628-A12669-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12669-5Size:5 mg
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CAS Number
432037-57-5

Chemical Information

Teglarinad Chloride

GMX1777 is a water-soluble prodrug of the cyanoguanidine compound GMX1778 with potential antineoplastic activity. In vivo, apoptosis inducer GMX1777 is rapidly converted into GMX1778 through hydrolytic cleavage of a carbonate ester bond. Although the exact mechanism of action has yet to be fully elucidated, GMX1778 appears to antagonize nuclear factor-kappa B (NF-kB) transcription, resulting in the induction of tumor cell apoptosis.

CAS Number432037-57-5
PubChem CID9961434
IUPAC Name[4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl carbonate chloride
Molecular FormulaC30H43Cl2N5O8
Molecular Weight672.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Heavy Atom Count45
Formal Charge0
Complexity802
SMILES
COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]
InChI
InChI=1S/C30H42ClN5O8.ClH/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28;/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34);1H
InChIKey
DAHMXVAETAAQOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Teglarinad Chloride
CAS: 432037-57-5
CID: 9961434
Formula: C30H43Cl2N5O8
MW: 672.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight672.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count27
Exact Mass671.2488687
Monoisotopic Mass671.2488687
Topological Polar Surface Area146 Ų
Heavy Atom Count45
Formal Charge0
Complexity802
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-10080-01Teglarinad (chloride)
BUP21765Teglarinad chloride
189775-01Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01TMA chloride-d12 (chloride)
3125490Tin chloride (stannous chloride)
3121645Cobalt chloride (Cobaltous chloride)
3125225Stannous chloride (tin chloride)
3123430Manganous chloride (Manganese chloride)
53473813-100gHexadecyltrimethylammonium chloride (Cetyltrimethylammonium chloride)
3121825Cupric chloride (Copper chloride)

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