MedKoo Cat#: 130400 | Name: BocA1V2PF2-NHC6-NH2
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Description:

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

BocA1V2PF2-NHC6-NH2 is a vital component in the synthesis of targeted protein degraders and specific and non-genetic inhibitor of apoptosis protein (IAP)-dependent protein erasers (SNIPER) technology. The conjugate is comprised of a silico-derived IAP-recruiting ligand, an alkyl-chain crosslinker, and a pendant amine for reactivity with an acid on a target warhead.

Chemical Structure

BocA1V2PF2-NHC6-NH2
BocA1V2PF2-NHC6-NH2
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130400

Name: BocA1V2PF2-NHC6-NH2

CAS#: N/A

Chemical Formula: C36H57FN6O6

Exact Mass: 688.4324

Molecular Weight: 688.89

Elemental Analysis: C, 62.77; H, 8.34; F, 2.76; N, 12.20; O, 13.93

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
BocA1V2PF2-NHC6-NH2
IUPAC/Chemical Name
tert-butyl ((S)-1-(((S)-2-((S)-2-(((S)-1-((6-aminohexyl)amino)-3-(4-fluorophenyl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)amino)-1-oxopropan-2-yl)carbamate
InChi Key
PVBBARWLUGITSU-DFZCOPKLSA-N
InChi Code
InChI=1S/C36H57FN6O6/c1-24(40-35(48)49-36(2,3)4)31(44)42-30(26-13-8-7-9-14-26)34(47)43-22-12-15-29(43)33(46)41-28(23-25-16-18-27(37)19-17-25)32(45)39-21-11-6-5-10-20-38/h16-19,24,26,28-30H,5-15,20-23,38H2,1-4H3,(H,39,45)(H,40,48)(H,41,46)(H,42,44)/t24-,28-,29-,30-/m0/s1
SMILES Code
O=C(OC(C)(C)C)N[C@@H](C)C(N[C@@H](C1CCCCC1)C(N2[C@H](C(N[C@@H](CC3=CC=C(F)C=C3)C(NCCCCCCN)=O)=O)CCC2)=O)=O
Appearance
To be determined
Purity
>90% (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
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Preparing Stock Solutions

The following data is based on the product molecular weight 688.89 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