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TAT-M2NX

CAT: 0804-HY-P5883-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P5883-01Size:1 mg
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Description
TAT-M2NX (tatM2NX) is a TRPM2 inhibitor with specific neuroprotective activity in male mice. TAT-M2NX can be used to study ischemic neuronal damage[1].
CAS Number
2126166-03-6
Product Name Alternative
TatM2NX
UNSPSC
12352209
Target
TRP Channel
Type
Peptides
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tat-m2nx.html
Purity
99.55
Solubility
H2O : 50 mg/mL (ultrasonic)
Smiles
O=C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(O)=O)C(N1[C@@H](CCC1)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CCSC)C(N[C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC4=CNC5=CC=CC=C45)C(N[C@@H](C(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC6=CC=C(C=C6)O)N
Molecular Formula
C190H323N71O45S
Molecular Weight
4354.11
References & Citations
[1]Shimizu T, et al. Extended therapeutic window of a novel peptide inhibitor of TRPM2 channels following focal cerebral ischemia. Exp Neurol. 2016 Sep;283 (Pt A) :151-6.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

tatM2NX

TRPM2 channel inhibitor consisting of tat inducer of HIV fused to Nudix domain (M2NX) of the C-terminus of TRPM2 channel

CAS Number2126166-03-6
PubChem CID154699439
IUPAC Name(4S)-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC190H323N71O45S
Molecular Weight4354
XLogP-21.8
Topological Polar Surface Area2010
Hydrogen Bond Donor Count75
Hydrogen Bond Acceptor Count61
Rotatable Bond Count164
Heavy Atom Count307
Formal Charge0
Complexity10400
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC6=CC=C(C=C6)O)N
InChI
InChI=1S/C190H323N71O45S/c1-100(2)89-132(170(295)244-116(43-19-23-74-193)155(280)243-125(54-34-85-227-190(216)217)169(294)258-148(103(7)8)177(302)256-133(90-101(3)4)171(296)245-122(51-31-82-224-187(210)211)160(285)248-128(62-67-141(197)265)166(291)249-129(64-69-146(271)272)167(292)254-134(93-105-37-13-12-14-38-105)172(297)255-135(173(298)259-149(104(9)10)180(305)306)94-107-95-228-111-40-16-15-39-109(107)111)253-163(288)117(44-20-24-75-194)238-161(286)124(53-33-84-226-189(214)215)251-176(301)139-56-36-87-261(139)179(304)136(91-102(5)6)257-168(293)130(71-88-307-11)250-164(289)126(63-68-145(269)270)233-143(267)98-231-175(300)138-55-35-86-260(138)178(303)131(65-70-147(273)274)252-162(287)123(52-32-83-225-188(212)213)246-174(299)137(99-262)234-144(268)97-230-151(276)112(45-25-76-218-181(198)199)235-156(281)118(47-27-78-220-183(202)203)240-158(283)120(49-29-80-222-185(206)207)242-165(290)127(61-66-140(196)264)247-159(284)121(50-30-81-223-186(208)209)241-157(282)119(48-28-79-221-184(204)205)239-154(279)115(42-18-22-73-192)237-153(278)114(41-17-21-72-191)236-152(277)113(46-26-77-219-182(200)201)232-142(266)96-229-150(275)110(195)92-106-57-59-108(263)60-58-106/h12-16,37-40,57-60,95,100-104,110,112-139,148-149,228,262-263H,17-36,41-56,61-94,96-99,191-195H2,1-11H3,(H2,196,264)(H2,197,265)(H,229,275)(H,230,276)(H,231,300)(H,232,266)(H,233,267)(H,234,268)(H,235,281)(H,236,277)(H,237,278)(H,238,286)(H,239,279)(H,240,283)(H,241,282)(H,242,290)(H,243,280)(H,244,295)(H,245,296)(H,246,299)(H,247,284)(H,248,285)(H,249,291)(H,250,289)(H,251,301)(H,252,287)(H,253,288)(H,254,292)(H,255,297)(H,256,302)(H,257,293)(H,258,294)(H,259,298)(H,269,270)(H,271,272)(H,273,274)(H,305,306)(H4,198,199,218)(H4,200,201,219)(H4,202,203,220)(H4,204,205,221)(H4,206,207,222)(H4,208,209,223)(H4,210,211,224)(H4,212,213,225)(H4,214,215,226)(H4,216,217,227)/t110-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,148-,149-/m0/s1
InChIKey
UDMRTOJWVGSXRR-OMVNHVILSA-N
Chemical Structure
2D Structure
2D structure of tatM2NX
CAS: 2126166-03-6
CID: 154699439
Formula: C190H323N71O45S
MW: 4354
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4354
XLogP3-21.8
Hydrogen Bond Donor Count75
Hydrogen Bond Acceptor Count61
Rotatable Bond Count164
Exact Mass4353.4956783
Monoisotopic Mass4351.4889686
Topological Polar Surface Area2010 Ų
Heavy Atom Count307
Formal Charge0
Complexity10400
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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