S-Gem

CAT: 0931-T79198-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T79198-03Size:100 mg

Selected

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

Quick Request Actions

CAS Number

2169925-98-6

Target

Autophagy, Apoptosis, Nucleoside Antimetabolite/Analog, DNA/RNA Synthesis

Related Pathways

Cell Cycle/Checkpoint, Apoptosis, DNA Damage/DNA Repair, Autophagy

Bioactivity

S-Gem, a thioredoxin reductase (TrxR) -dependent prodrug of Gemcitabine, is selectively activated by TrxR. Studies indicate that S-Gem exhibits lower cytotoxicity than Gemcitabine [1].

Smiles

FC1(F)[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)N=C(NC(OC3CSSC3)=O)C=C2

Molecular Formula

C13H15F2N3O6S2

Molecular Weight

411.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

dithiolan-4-yl N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

CAS Number	2169925-98-6
PubChem CID	168476144
IUPAC Name	dithiolan-4-yl N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
Molecular Formula	C13H15F2N3O6S2
Molecular Weight	411.4
XLogP	-0.2
Topological Polar Surface Area	171
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	643

SMILES

C1C(CSS1)OC(=O)NC2=NC(=O)N(C=C2)[C@H]3C([C@@H]([C@H](O3)CO)O)(F)F

InChI

InChI=1S/C13H15F2N3O6S2/c14-13(15)9(20)7(3-19)24-10(13)18-2-1-8(16-11(18)21)17-12(22)23-6-4-25-26-5-6/h1-2,6-7,9-10,19-20H,3-5H2,(H,16,17,21,22)/t7-,9-,10-/m1/s1

InChIKey

WVNDMEFISJHXOM-SZEHBUNVSA-N

Chemical Structure

2D Structure

CAS: 2169925-98-6

CID: 168476144

Formula: C13H15F2N3O6S2

MW: 411.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	411.4
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	411.03703388
Monoisotopic Mass	411.03703388
Topological Polar Surface Area	171 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	643
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T82327-01	GEM–IB
TMAB-06425-01	Anti-GEM Polyclonal Antibody
T212226-01	(S, S, S) -AHPC
T212515-01	(S, S, S) -AHPC-Me
T207328-01	(R, S, S, S) -Orlistat
T13877-01	(S, S, S) -AHPC hydrochloride
TYD-00339-01	(S, S) -TsDPEN
T73929-01	(S, S) -GSK321
T33073-01	Lysinoalanine, (S, S) -
T29263-01	(S, S) -D211

Alternative Products

Catalog	Name
GTR19218737-01	S-Gem
MBS8561728-01	GEM
abx320347-01	GTP Binding Protein GEM (GEM) Antibody
318148	GEM (GTP-binding Protein GEM, KIR)
abx616800	GTP Binding Protein GEM (GEM) Peptide
70R-5974	GEM antibody
HY-145441	GEM–IB
536701-01	GEM discontinued
ABC-TC023S	GEM-199

S-Gem

Chemical Information

Related Products

Alternative Products

Popular Products