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TAT-EE3

CAT: 0804-HY-P11117-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P11117-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TAT-EE3 is a neuroprotective peptide which can uncouple TRPM2-NMDARs interaction. TAT-EE3 inhibits TRPM2-induced enhancement of NMDAR surface expression and current amplitude.TAT-EE3 protects neurons against ischemic injury in vitro and in vivo. TAT-EE3can be used for the study of ischemic stroke[1].
CAS Number
2899218-49-4
UNSPSC
12352209
Target
Calcium Channel; iGluR; TRP Channel
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Purity
99.89
Solubility
H2O : 5.88 mg/mL (ultrasonic; adjust pH to 9 with NH3·H2O)
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(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCSC)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)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)[C@H](CC1=CC=C(C=C1)O)N
Molecular Formula
C135H228N48O49S
Molecular Weight
3339.61
References & Citations
[1]Zong P, et al. Functional coupling of TRPM2 and extrasynaptic NMDARs exacerbates excitotoxicity in ischemic brain injury. Neuron. 2022 Jun 15;110 (12) :1944-1958.e8.
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

Tat-EE3
CAS Number2899218-49-4
PubChem CID178203537
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Molecular FormulaC135H228N48O49S
Molecular Weight3339.6
XLogP-24.1
Topological Polar Surface Area1690
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count59
Rotatable Bond Count128
Heavy Atom Count233
Formal Charge0
Complexity7720
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=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](CC1=CC=C(C=C1)O)N)O
InChI
InChI=1S/C135H228N48O49S/c1-63(2)55-87(122(224)159-65(5)104(206)162-80(32-39-95(190)191)119(221)176-86(129(231)232)37-44-100(200)201)177-105(207)66(6)160-123(225)88(56-64(3)4)178-121(223)85(45-54-233-8)175-118(220)82(34-41-97(194)195)172-117(219)83(35-42-98(196)197)174-126(228)91(61-184)182-127(229)92(62-185)181-124(226)89(58-101(202)203)180-128(230)103(67(7)186)183-125(227)90(59-102(204)205)179-120(222)84(36-43-99(198)199)173-116(218)81(33-40-96(192)193)171-114(216)78(26-18-53-157-135(150)151)168-111(213)75(23-15-50-154-132(144)145)166-112(214)76(24-16-51-155-133(146)147)169-115(217)79(31-38-93(139)188)170-113(215)77(25-17-52-156-134(148)149)167-110(212)74(22-14-49-153-131(142)143)165-109(211)73(20-10-12-47-137)164-108(210)72(19-9-11-46-136)163-107(209)71(21-13-48-152-130(140)141)161-94(189)60-158-106(208)70(138)57-68-27-29-69(187)30-28-68/h27-30,63-67,70-92,103,184-187H,9-26,31-62,136-138H2,1-8H3,(H2,139,188)(H,158,208)(H,159,224)(H,160,225)(H,161,189)(H,162,206)(H,163,209)(H,164,210)(H,165,211)(H,166,214)(H,167,212)(H,168,213)(H,169,217)(H,170,215)(H,171,216)(H,172,219)(H,173,218)(H,174,228)(H,175,220)(H,176,221)(H,177,207)(H,178,223)(H,179,222)(H,180,230)(H,181,226)(H,182,229)(H,183,227)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,231,232)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t65-,66-,67+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,103-/m0/s1
InChIKey
WCGBATCEXXBAMT-GLFKKCHZSA-N
Chemical Structure
2D Structure
2D structure of Tat-EE3
CAS: 2899218-49-4
CID: 178203537
Formula: C135H228N48O49S
MW: 3339.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3339.6
XLogP3-24.1
Hydrogen Bond Donor Count61
Hydrogen Bond Acceptor Count59
Rotatable Bond Count128
Exact Mass3338.6579018
Monoisotopic Mass3337.6545470
Topological Polar Surface Area1690 Ų
Heavy Atom Count233
Formal Charge0
Complexity7720
Isotope Atom Count0
Defined Atom Stereocenter Count27
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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