MedKoo Cat#: 593134 | Name: SMTIN-P01

Description:

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

SMTIN-P01 is a mitochondria-targeted Hsp90 inhibitor. It is made from the isopropyl amine of the Hsp90 inhibitor PU-H71 being replaced with the mitochondria-targeting moiety triphenylphosphonium.

Chemical Structure

SMTIN-P01
SMTIN-P01
CAS# 1695550-43-6

Theoretical Analysis

MedKoo Cat#: 593134

Name: SMTIN-P01

CAS#: 1695550-43-6

Chemical Formula: C36H34BrIN5O2PS

Exact Mass: 837.0399

Molecular Weight: 838.54

Elemental Analysis: C, 51.57; H, 4.09; Br, 9.53; I, 15.13; N, 8.35; O, 3.82; P, 3.69; S, 3.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
SMTINP01; SMTINP01; SMTIN-P01
IUPAC/Chemical Name
(6-(6-amino-8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-9-yl)hexyl)triphenylphosphonium bromide
InChi Key
IGLVCZKBEMGZFY-UHFFFAOYSA-M
InChi Code
InChI=1S/C36H34IN5O2PS.BrH/c37-29-22-30-31(44-25-43-30)23-32(29)46-36-41-33-34(38)39-24-40-35(33)42(36)20-12-1-2-13-21-45(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28;/h3-11,14-19,22-24H,1-2,12-13,20-21,25H2,(H2,38,39,40);1H/q+1;/p-1
SMILES Code
NC1=C2C(N(CCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(SC6=CC(OCO7)=C7C=C6I)=N2)=NC=N1.[Br-]
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 838.54 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
1: Lee C, Park HK, Jeong H, Lim J, Lee AJ, Cheon KY, Kim CS, Thomas AP, Bae B, Kim ND, Kim SH, Suh PG, Ryu JH, Kang BH. Development of a mitochondria-targeted Hsp90 inhibitor based on the crystal structures of human TRAP1. J Am Chem Soc. 2015 Apr 8;137(13):4358-67. doi: 10.1021/ja511893n. Epub 2015 Mar 30. PubMed PMID: 25785725.