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Notch 1

CAT: 0804-HY-P1985-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1985-02Size:5 mg
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Description
Notch 1 (Notch homolog 1, translocation-associated) can encode a member of the NOTCH family of proteins. Members of this Type I transmembrane protein family share structural characteristics including an extracellular domain consisting of multiple epidermal growth factor-like (EGF) repeats, and an intracellular domain consisting of multiple different domain types[1].
CAS Number
2408730-51-6
UNSPSC
12352209
Target
Notch
Related Pathways
Neuronal Signaling; Stem Cell/Wnt
Field of Research
Cancer; Cardiovascular Disease
Purity
95.39
Solubility
10 mM in DMSO
Smiles
OC(CC[C@@H](C(O)=O)NC([C@H](CS)NC([C@H]([C@@H](C)CC)NC([C@H](CS)NC([C@H](CCC(N)=O)NC([C@@H](NC([C@H](CCC(O)=O)NC(CNC([C@H]([C@@H](C)CC)NC([C@H](CCC(N)=O)NC([C@H](CC(O)=O)NC([C@H](CC(C)C)NC([C@@H](N)CS)=O)=O)=O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)=O)=O)=O)=O)=O
Molecular Formula
C62H97N15O22S3
Molecular Weight
1500.72
References & Citations
[1]NOTCH1 notch receptor 1 [Homo sapiens (human) ] Gene ID: 4851, updated on 28-Oct-2019.|[2]toyanova T, et al. Activation of Notch1 synergizes with multiple pathways in promoting castration-resistant prostate cancer. Proc Natl Acad Sci U S A. 2016 Oct 18;113 (42) :E6457-E6466.
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

Notch 1
CAS Number2408730-51-6
PubChem CID171397210
IUPAC Name(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]pentanedioic acid
Molecular FormulaC62H97N15O22S3
Molecular Weight1500.7
XLogP-5.3
Topological Polar Surface Area614
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count26
Rotatable Bond Count50
Heavy Atom Count102
Formal Charge0
Complexity2950
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)N
InChI
InChI=1S/C62H97N15O22S3/c1-7-30(5)49(76-54(90)36(15-19-44(65)79)69-57(93)40(24-48(85)86)73-55(91)38(22-29(3)4)71-51(87)33(63)26-100)60(96)66-25-45(80)67-34(16-20-46(81)82)52(88)72-39(23-32-12-10-9-11-13-32)56(92)68-35(14-18-43(64)78)53(89)74-42(28-102)59(95)77-50(31(6)8-2)61(97)75-41(27-101)58(94)70-37(62(98)99)17-21-47(83)84/h9-13,29-31,33-42,49-50,100-102H,7-8,14-28,63H2,1-6H3,(H2,64,78)(H2,65,79)(H,66,96)(H,67,80)(H,68,92)(H,69,93)(H,70,94)(H,71,87)(H,72,88)(H,73,91)(H,74,89)(H,75,97)(H,76,90)(H,77,95)(H,81,82)(H,83,84)(H,85,86)(H,98,99)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-/m0/s1
InChIKey
AANOCXCBYKMPDY-BBYHCIDCSA-N
Chemical Structure
2D Structure
2D structure of Notch 1
CAS: 2408730-51-6
CID: 171397210
Formula: C62H97N15O22S3
MW: 1500.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1500.7
XLogP3-5.3
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count26
Rotatable Bond Count50
Exact Mass1499.60947330
Monoisotopic Mass1499.60947330
Topological Polar Surface Area614 Ų
Heavy Atom Count102
Formal Charge0
Complexity2950
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes