[ CAS No. 73-22-3 ] {[proInfo.proName]}

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2D 3D

Structure of 73-22-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 73-22-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 73-22-3 ]

SDS Specification

Alternatived Products of [ 73-22-3 ]

Product Citations

Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins

Faisal Aziz ; Kanamata Reddy ; Virneliz Fernandez Vega , et al. JMC,2024,67(3):1949-1960. DOI: 10.1021/acs.jmedchem.3c01763

Abstract: The suppressor of T cell receptor

Purchased rebamipide, as a putative inhibitor of Sts phosphatase activity. Rebamipide, and a small library of derivatives, are competitive, selective inhibitors of Sts-1 with IC50 values from low to submicromolar. SAR analysis indicates that the quinolinone, the acid, and the amide moieties are all essential for activity. A crystal structure confirmed the SAR and reveals key interactions between this class of compound and the protein. Although rebamipide has poor cell permeability, we demonstrated that a liposomal preparation can inactivate the phosphatase activity of Sts-1 in cells. These studies demonstrate that Sts-1 enzyme activity can be pharmacologically inactivated and provide foundational tools and insights for the development of immune-enhancing therapies that target the Sts proteins.

from AmBeed: class="">2251-65-2 ; class="">90098-04-7 ; class="">4876-14-6 ; class="">90098-08-1 ; class="">874-60-2 ; class="">4876-10-2 ; class="">7158-32-9 ; class="">5271-67-0 ; class="">118-45-6 ; class="">73-22-3 ; class="">56-41-7 ; class="">34893-92-0 ; class="">403-43-0 ; class="">58757-38-3 ; class="">76903-88-3 ; class="span_more span_less">52-90-4 ; class="span_more span_less">6068-72-0 ; class="span_more span_less">2243-83-6 ; class="span_more span_less">38818-50-7 ; class="span_more span_less">16331-45-6 ; class="span_more span_less">36823-88-8 ; class="span_more span_less">90098-06-9 ; class="span_more span_less">90098-05-8 ; class="span_more span_less">3024-72-4 ; class="span_more span_less">618-46-2 ; class="span_more span_less">63024-43-1 ; class="span_more span_less">4122-68-3 ; class="span_more span_less">22980-09-2 ; class="span_more span_less">681806-75-7 ; class="span_more span_less">39544-74-6 class="keywords_more email-color more_span" onclick="change_span_more(this)">...More

Product Details of [ 73-22-3 ]

CAS No. :	73-22-3	MDL No. :	MFCD00064340
Formula :	C₁₁H₁₂N₂O₂	Boiling Point :	-
Linear Structure Formula :	HO₂CCH(CH₂C₈H₅NH)NH₂	InChI Key :	QIVBCDIJIAJPQS-VIFPVBQESA-N
M.W :	204.23	Pubchem ID :	6305
Synonyms :	Tryptophan;Tryptophane;L-Tryptophane;Ardeytropin;(–)-Tryptophan;NSC 13119

Calculated chemistry of [ 73-22-3 ] Expand+

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.18
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	3.0
Molar Refractivity :	57.36
TPSA :	79.11 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.3 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.99
Log Po/w (XLOGP3) :	-1.06
Log Po/w (WLOGP) :	1.12
Log Po/w (MLOGP) :	-1.66
Log Po/w (SILICOS-IT) :	1.53
Consensus Log Po/w :	0.18

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.68
Solubility :	42.2 mg/ml ; 0.207 mol/l
Class :	Very soluble
Log S (Ali) :	-0.11
Solubility :	158.0 mg/ml ; 0.772 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.76
Solubility :	0.357 mg/ml ; 0.00175 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.09

Safety of [ 73-22-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 73-22-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 73-22-3 ]

[ 73-22-3 ] Synthesis Path-Downstream 1~10

1
[ 2418-95-3 ]
[ 2799-07-7 ]
[ 4727-00-8 ]
[ 108-24-7 ]
[ 73-22-3 ]
Cys-D-Phe-resin [ No CAS ]
(4R,7S,10S,13S,16R,19R)-19-Acetylamino-10-(4-amino-butyl)-16-benzyl-7-(4-hydroxy-benzyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid amide [ No CAS ]