MedKoo Cat#: 121166 | Name: ARN70080
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Description:

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

ARN70080 is a ProTAC building block. ARN70080 contains a von Hippel--Lindau (VHL)-rectuiting ligand and a pendant disulfide, linked via a carbonate group. The pendant disulfide allows for targeted degradation of antibodies. This product has no formal name at the moment. For the convenience of communication, a temporal code was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

ARN70080
CAS#2417370-08-0

Theoretical Analysis

MedKoo Cat#: 121166

Name: ARN70080

CAS#: 2417370-08-0

Chemical Formula: C33H48N4O9S3

Exact Mass: 740.2583

Molecular Weight: 740.95

Elemental Analysis: C, 53.49; H, 6.53; N, 7.56; O, 19.43; S, 12.98

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
(S,R,S)-AHPC-di-trimethylamide-dioxodisulfide-carbonate ester
IUPAC/Chemical Name
S-(1-(((((3R,5S)-1-((S)-2-((tert-butoxycarbonyl)amino)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl)oxy)carbonyl)oxy)-2-methylpropan-2-yl) methanesulfonothioate
InChi Key
AZAVKYSXGOPVNY-RMTZWNOUSA-N
InChi Code
InChI=1S/C33H48N4O9S3/c1-20-25(47-19-35-20)22-13-11-21(12-14-22)16-34-27(38)24-15-23(45-30(41)44-18-33(8,9)48-49(10,42)43)17-37(24)28(39)26(31(2,3)4)36-29(40)46-32(5,6)7/h11-14,19,23-24,26H,15-18H2,1-10H3,(H,34,38)(H,36,40)/t23-,24+,26-/m1/s1
SMILES Code
CS(=O)(SC(C)(C)COC(O[C@H]1CN(C([C@@H](NC(OC(C)(C)C)=O)C(C)(C)C)=O)[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C1)=O)=O
Appearance
To be determined
Purity
>95% (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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 740.95 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