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APT STAT3

CAT: 0931-TP2544-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2544-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345420-96-3
Target
STAT
Related Pathways
JAK/STAT signaling, Stem Cells
Bioactivity
APT STAT3 is a STAT3-binding peptide that displays high specificity and affinity for STAT3 (~231 nmol/L) . It serves as a tractable agent for targeting a wide range of cancers with constitutively activated STAT3 [1].
Smiles
C([C@@H](C(=O)N1[C@H](C(NCC(N[C@H](C(N[C@@H](CC=2C=3C(NC2)=CC=CC3)C(N[C@H](C(N[C@@H](CC=4C=5C(NC4)=CC=CC5)C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC=6C=7C(NC6)=CC=CC7)C(N[C@H](C(N[C@@H](CC=8C=9C(NC8)=CC=CC9)C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CC%10=CC=C(O)C=C%10)C(N[C@H](C(N[C@@H](CC%11=CC=CC=C%11)C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CC(C)C)=O)=O)CCC(N)=O)=O)=O)C)=O)=O)CCCCN)=O)=O)[C@@H](C)O)=O)=O)CCCCN)=O)=O)CC(N)=O)=O)CCC(O)=O)=O)=O)[C@@H](C)O)=O)=O)CO)=O)=O)CCC1)NC([C@@H](NC([C@H](CC%12=CC=CC=C%12)NC(CNC([C@H](CC%13=CN=CN%13)N)=O)=O)=O)CCC(N)=O)=O)C=%14C=%15C(NC%14)=CC=CC%15
Molecular Formula
C158H205N39O36
Molecular Weight
3226.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apt stat3
CAS Number1345420-96-3
PubChem CID171715770
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
Molecular FormulaC158H205N39O36
Molecular Weight3226.6
XLogP-6.2
Topological Polar Surface Area1220
Hydrogen Bond Donor Count43
Hydrogen Bond Acceptor Count41
Rotatable Bond Count96
Heavy Atom Count233
Formal Charge0
Complexity7610
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)N)O
InChI
InChI=1S/C158H205N39O36/c1-84(2)61-115(145(219)185-114(158(232)233)45-24-27-59-161)187-148(222)118(63-89-31-10-7-11-32-89)188-142(216)111(51-54-127(163)202)183-147(221)117(64-90-47-49-97(201)50-48-90)186-137(211)85(3)177-130(205)78-173-139(213)109(43-22-25-57-159)181-149(223)119(65-91-72-167-104-38-17-12-33-98(91)104)192-155(229)135(86(4)199)195-151(225)121(67-93-74-169-106-40-19-14-35-100(93)106)189-141(215)110(44-23-26-58-160)178-131(206)80-174-140(214)123(71-129(165)204)191-143(217)113(53-56-134(209)210)184-150(224)120(66-92-73-168-105-39-18-13-34-99(92)105)193-156(230)136(87(5)200)196-152(226)122(68-94-75-170-107-41-20-15-36-101(94)107)190-153(227)125(82-198)180-133(208)81-175-154(228)126-46-28-60-197(126)157(231)124(69-95-76-171-108-42-21-16-37-102(95)108)194-144(218)112(52-55-128(164)203)182-146(220)116(62-88-29-8-6-9-30-88)179-132(207)79-172-138(212)103(162)70-96-77-166-83-176-96/h6-21,29-42,47-50,72-77,83-87,103,109-126,135-136,167-171,198-201H,22-28,43-46,51-71,78-82,159-162H2,1-5H3,(H2,163,202)(H2,164,203)(H2,165,204)(H,166,176)(H,172,212)(H,173,213)(H,174,214)(H,175,228)(H,177,205)(H,178,206)(H,179,207)(H,180,208)(H,181,223)(H,182,220)(H,183,221)(H,184,224)(H,185,219)(H,186,211)(H,187,222)(H,188,216)(H,189,215)(H,190,227)(H,191,217)(H,192,229)(H,193,230)(H,194,218)(H,195,225)(H,196,226)(H,209,210)(H,232,233)/t85-,86+,87+,103-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,135-,136-/m0/s1
InChIKey
PUEHFRFFSKICSA-DSIBCQNJSA-N
Chemical Structure
2D Structure
2D structure of Apt stat3
CAS: 1345420-96-3
CID: 171715770
Formula: C158H205N39O36
MW: 3226.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3226.6
XLogP3-6.2
Hydrogen Bond Donor Count43
Hydrogen Bond Acceptor Count41
Rotatable Bond Count96
Exact Mass3225.5442988
Monoisotopic Mass3224.5409440
Topological Polar Surface Area1220 Ų
Heavy Atom Count233
Formal Charge0
Complexity7610
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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