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BAD (103-127) (human)

CAT: 0804-HY-P2468-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P2468-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAD (103-127) (human), the 25-mer Bad peptide, is derived from the BH3 domain of BAD, can antagonize the function of Bcl-xL. BAD (103-127) (human) is reported to have almost 800-fold higher affinity for Bcl-XL than the 16-mer peptide[1].
CAS Number
331762-68-6
Product Name Alternative
BADBH3 103-127 (human) ; BADBH3 (human)
UNSPSC
12352209
Target
Bcl-2 Family
Type
Peptides
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bad-103-127-human.html
Purity
98.80
Solubility
H2O : ≥ 50 mg/mL
Smiles
O=C(N[C@@H](CC(C)C)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC3=CC=C(C=C3)O)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCSC)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](C(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H](CO)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)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)[C@H](CC(N)=O)N
Molecular Formula
C137H212N42O39S
Molecular Weight
3103.47
References & Citations
[1]Dilraj Lama, et al. Molecular dynamics simulations of pro-apoptotic BH3 peptide helices in aqueous medium: relationship between helix stability and their binding affinities to the anti-apoptotic protein Bcl-X (L) . J Comput Aided Mol Des. 2011 May;25 (5) :413-26.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

L-Lysine,L-asparaginyl-L-leucyl-L-tryptophyl-L-alanyl-L-alanyl-L-glutaminyl-L-arginyl-L-tyrosylglycyl-L-arginyl-L-a-glutamyl-L-leucyl-L-arginyl-L-arginyl-L-methionyl-L-seryl-L-a-aspartyl-L-a-glutamyl-L-phenylalanyl-L-valyl-L-a-aspartyl-L-seryl-L-phenylalanyl-L-lysyl-
CAS Number331762-68-6
PubChem CID16210347
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(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)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC137H212N42O39S
Molecular Weight3103.5
XLogP-15
Topological Polar Surface Area1400
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count110
Heavy Atom Count219
Formal Charge0
Complexity7070
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C137H212N42O39S/c1-69(2)56-92(169-112(196)80(140)62-103(142)184)125(209)174-97(61-77-65-155-81-31-17-16-30-79(77)81)123(207)158-72(7)110(194)157-73(8)111(195)160-87(42-45-102(141)183)119(203)162-86(37-25-54-154-137(149)150)118(202)171-94(60-76-38-40-78(182)41-39-76)113(197)156-66-104(185)159-82(34-22-51-151-134(143)144)114(198)165-88(43-46-105(186)187)120(204)170-93(57-70(3)4)124(208)164-85(36-24-53-153-136(147)148)115(199)161-84(35-23-52-152-135(145)146)116(200)167-90(48-55-219-9)122(206)177-100(67-180)131(215)175-98(63-107(190)191)127(211)166-89(44-47-106(188)189)121(205)172-96(59-75-28-14-11-15-29-75)129(213)179-109(71(5)6)132(216)176-99(64-108(192)193)128(212)178-101(68-181)130(214)173-95(58-74-26-12-10-13-27-74)126(210)163-83(32-18-20-49-138)117(201)168-91(133(217)218)33-19-21-50-139/h10-17,26-31,38-41,65,69-73,80,82-101,109,155,180-182H,18-25,32-37,42-64,66-68,138-140H2,1-9H3,(H2,141,183)(H2,142,184)(H,156,197)(H,157,194)(H,158,207)(H,159,185)(H,160,195)(H,161,199)(H,162,203)(H,163,210)(H,164,208)(H,165,198)(H,166,211)(H,167,200)(H,168,201)(H,169,196)(H,170,204)(H,171,202)(H,172,205)(H,173,214)(H,174,209)(H,175,215)(H,176,216)(H,177,206)(H,178,212)(H,179,213)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,217,218)(H4,143,144,151)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t72-,73-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-/m0/s1
InChIKey
NLSLFOGIVJOKDC-ZOKDAYPZSA-N
Chemical Structure
2D Structure
2D structure of L-Lysine,L-asparaginyl-L-leucyl-L-tryptophyl-L-alanyl-L-alanyl-L-glutaminyl-L-arginyl-L-tyrosylglycyl-L-arginyl-L-a-glutamyl-L-leucyl-L-arginyl-L-arginyl-L-methionyl-L-seryl-L-a-aspartyl-L-a-glutamyl-L-phenylalanyl-L-valyl-L-a-aspartyl-L-seryl-L-phenylalanyl-L-lysyl-
CAS: 331762-68-6
CID: 16210347
Formula: C137H212N42O39S
MW: 3103.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3103.5
XLogP3-15
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count47
Rotatable Bond Count110
Exact Mass3102.5651111
Monoisotopic Mass3101.5617563
Topological Polar Surface Area1400 Ų
Heavy Atom Count219
Formal Charge0
Complexity7070
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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CatalogName
VAC-00617-01BAD (103-127), human
T40412-01BAD (103-127) (human)
5-00744BAD (103 - 127), human
MBS5800661BAD (103-127)(human)
GTR18919123-01BAD (103-127) (human) acetate
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MBS5785683BAD (103-127)(Human) acetate
T76082-01BAD (103-127) (human), FAM-labeled
MBS5817989BAD (103-127)(human), FAM-labeled
GTR19150252-01BAD (103-127) (human), FAM-labeled TFA

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