MedKoo Cat#: 112208 | Name: I 432
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Description:

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

I 432 is a TMPRSS2 (transmembrane serine proteinase 2) inhibitor (Ki =0.9 nM).

Chemical Structure

I 432
I 432
CAS#1268874-09-4

Theoretical Analysis

MedKoo Cat#: 112208

Name: I 432

CAS#: 1268874-09-4

Chemical Formula: C33H35Cl2F6N5O7S

Exact Mass: 829.1538

Molecular Weight: 830.62

Elemental Analysis: C, 47.72; H, 4.25; Cl, 8.54; F, 13.72; N, 8.43; O, 13.48; S, 3.86

Price and Availability

Size Price Availability Quantity
5mg USD 550.00 2 Weeks
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Related CAS #
No Data
Synonym
I 432; I432; I-432
IUPAC/Chemical Name
(S)-3-(3-(4-(2-aminoethyl)piperidin-1-yl)-2-((2',4'-dichloro-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide bis(2,2,2-trifluoroacetate)
InChi Key
HCTPOLRWOSFUBB-LPCSYZHESA-N
InChi Code
InChI=1S/C29H33Cl2N5O3S.2C2HF3O2/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36;2*3-2(4,5)1(6)7/h1-8,15,17-19,27,35H,9-14,16,32H2,(H3,33,34);2*(H,6,7)/t27-;;/m0../s1
SMILES Code
NCCC1CCN(CC1)C([C@H](CC2=CC(C(N)=N)=CC=C2)NS(=O)(C3=CC=CC(C4=C(Cl)C=C(Cl)C=C4)=C3)=O)=O.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O
Appearance
To be determined
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
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
Solvent mg/mL mM
Solubility
DMSO 83.1 100.00
Ethanol 83.1 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 830.62 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