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MedKoo Cat#: 531114 | Name: CTP518
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

CTP518 is a HIV protease inhibitor and a deuterated Atazanivir derivative.

Chemical Structure

CTP518
CTP518
CAS#1092540-56-1 (Deuterated)

Theoretical Analysis

MedKoo Cat#: 531114

Name: CTP518

CAS#: 1092540-56-1 (Deuterated)

Chemical Formula: C38H37D15N6O7

Exact Mass: 719.4839

Molecular Weight: 719.96

Elemental Analysis: C, 63.39; H, 9.38; N, 11.67; O, 15.56

Price and Availability

Size Price Availability Quantity
50mg USD 250.00 2 Weeks
100mg USD 450.00 2 Weeks
200mg USD 850.00 4 Weeks
500mg USD 1,450.00 2 Weeks
1g USD 2,650.00 2 Weeks
2g USD 3,850.00 2 Weeks
5g USD 5,450.00 2 Weeks
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Related CAS #
No Data
Synonym
CTP518; CTP-518; CTP 518; Deuterated Atazanivir-D3-1.
IUPAC/Chemical Name
trideuteriomethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-4,4,4-trideuterio-2-(trideuteriomethoxycarbonylamino)-3,3-bis(trideuteriomethyl)butanoyl]amino]butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
InChi Key
AXRYRYVKAWYZBR-ILCNTUBFSA-N
InChi Code
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i1D3,2D3,3D3,7D3,8D3
SMILES Code
O=C(OC([2H])([2H])[2H])N[C@@H](C(C)(C)C)C(NN(C[C@H](O)[C@@H](NC([C@@H](NC(OC([2H])([2H])[2H])=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)CC1=CC=CC=C1)CC2=CC=C(C3=NC=CC=C3)C=C2)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Related CAS# 198904-31-3 (Atazanavir) 1092540-56-1 (CTP518)

Preparing Stock Solutions

The following data is based on the product molecular weight 719.96 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Russak EM, Bednarczyk EM. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. doi: 10.1177/1060028018797110. Epub 2018 Aug 23. PMID: 30136594.