[CAS NO. 2734174-02-6] SM-164hydrochloride

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PRODUCTS SPECIFICATIONS [2734174-02-6]

Catalog

HY-15989A

Brand

MCE

CAS

2734174-02-6

DESCRIPTION [2734174-02-6]

Overview

MDL	-
Molecular Weight	1157.88
Molecular Formula	C62H85ClN14O6
SMILES	C[C@H](NC)C(N[C@H]1CCCC[C@](CC[C@H]2C(N[C@@H](C3=CC=CC=C3)C4=CN(CCCCC5=CC=C(CCCCN6N=NC([C@@H](NC([C@@H]7CC[C@@](CCCC[C@@H]8NC([C@@H](NC)C)=O)([H])N7C8=O)=O)C9=CC=CC=C9)=C6)C=C5)N=N4)=O)([H])N2C1=O)=O.Cl

For research use only. We do not sell to patients.

13 Publications Citing Use of MCE

Summary

SM-164 Hydrochloride is a cell-permeable Smac mimetic compound. SM-164 binds to XIAP protein containing both the BIR2 and BIR3 domains with an IC ₅₀ value of 1.39 nM and functions as an extremely potent antagonist of XIAP .

IC50 & Target

cIAP-1

0.31 nM (Ki)

cIAP-2

1.1 nM (Ki)

cIAP

In Vitro

SM-164 is a non-peptide, cell-permeable, bivalent small-molecule, which mimics Smac protein for targeting XIAP. SM-164 binds to XIAP containing both BIR domains with an IC ₅₀ value of 1.39 nM, being 300 and 7000-times more potent than its monovalent counterparts and the natural Smac AVPI peptide, respectively. SM-164 concurrently interacts with both BIR domains in XIAP and functions as an ultra-potent antagonist of XIAP in both cell-free functional and cell-based assays. SM-164 targets cellular XIAP and effectively induces apoptosis at concentrations as low as 1 nM in leukemia cancer cells, while having a minimal toxicity to normal human primary cells at 10,000 nM ^[1] . The binding affinities of SM-164 to XIAP, cIAP-1, and cIAP-2 proteins are determined using fluorescence-polarization based assays. SM-164 has a K _i value of 0.56 nM to XIAP protein containing both BIR2 and BIR3 domains. SM-164 has a K _i value of 0.31 nM to cIAP-1 protein containing both BIR2 and BIR3 domains. SM-164 binds to cIAP-2 BIR3 protein with K _i values of 1.1 nM. Addition of exogenous TNFα can significantly enhance the activity of these Smac mimetics, especially for SM-164, in resistant cancer cell lines such as HCT116 and MDA-MB-453 ^[2] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SM-164 is evaluated for its ability to inhibit tumor growth. SM-164 is highly effective in inhibition of tumor growth and capable of achieving tumor regression in the MDA-MB-231 xenograft model. Treatment with SM-164 at 1 mg/kg completely inhibits tumor growth during the treatment. Treatment with SM-164 at 5 mg/kg reduces the tumor volume from 147±54 mm ³ at the beginning of the treatment (day 25) to 54±32 mm ³ at the end of the treatment (day 36), a reduction of 65%. The strong antitumor activity by SM-164 is long lasting and not transient. SM-164 at 5 mg/kg is statistically more effective than Taxotere at the end of the treatment (P<0.01) or when the tumor size in the control group reaches 750 mm ³ (P<0.02) ^[2] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

H ₂ O : ≥ 106 mg/mL ( 91.55 mM )

* "≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	0.8636 mL	4.3182 mL	8.6365 mL
5 mM	0.1727 mL	0.8636 mL	1.7273 mL
10 mM	0.0864 mL	0.4318 mL	0.8636 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: PBS

Solubility: 50 mg/mL (43.18 mM); Clear solution; Need ultrasonic

* All of the co-solvents are available by MCE.