EFdA-TP

CAT: 0931-T41110Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T41110Size:5 mg

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

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CAS Number

950913-56-1

Target

Reverse Transcriptase, HIV Protease, Others, DNA/RNA Synthesis

Related Pathways

Proteases/Proteasome, Cell Cycle/Checkpoint, Microbiology/Virology, DNA Damage/DNA Repair, Others

Bioactivity

EFdA-TP, a highly potent nucleoside reverse transcriptase (RT) inhibitor, exerts its inhibitory effect on RT-catalyzed DNA synthesis through both immediate and delayed chain termination mechanisms, commonly referred to as ICT and DCT, respectively. Additionally, EFdA-TP demonstrates its efficacy in inhibiting HIV-1 RT through multiple pathways.

Smiles

Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O1)C#C

Molecular Formula

C12H15FN5O12P3

Molecular Weight

533.195

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Islatravir triphosphate

CAS Number	950913-56-1
PubChem CID	44568060
IUPAC Name	[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular Formula	C12H15FN5O12P3
Molecular Weight	533.19
XLogP	-4.4
Topological Polar Surface Area	259
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	9
Heavy Atom Count	33
Formal Charge	0
Complexity	946

SMILES

C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1

InChIKey

BUMPFXRZUYYODO-QRPMWFLTSA-N

Chemical Structure

2D Structure

CAS: 950913-56-1

CID: 44568060

Formula: C12H15FN5O12P3

MW: 533.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	533.19
XLogP3	-4.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	9
Exact Mass	532.99141009
Monoisotopic Mass	532.99141009
Topological Polar Surface Area	259 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	946
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

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T9254-01	TP-2857
T39486	TP-472N
T13139-01	TP-008
T73491-01	TP-050
T28997-01	TP-271

Alternative Products

Catalog	Name
HY-138561	EFdA-TP
HY-138561B-01	EFdA-TP (tetrasodium)
HY-138561A	EFdA-TP (tetraammonium)
MBS5814846	EFdA-TP tetrasodium
BUP21148-01	EFdA-TP 3TEA
MBS5796966	EFdA-TP tetraammonium
HY-138561C	EFdA-TP (tetralithium)
FID30620-01	TP 064
FT137729-01	TP 0903
HY-119127	TP-680

EFdA-TP

Chemical Information

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