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TACE substrate (fluorogenic)

CAT: 1106-BML-P132-0500Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-P132-0500Size:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
192723-42-5
Product Name Alternative
ADAM17 substrate
Certification
RUO
Sequence
Mca-Pro-Leu-Ala-Gln-Ala-Val-Dpa-Arg-Ser-Ser-Ser-Arg-NH 2 [Mca= (7-methoxycoumarin-4-yl) acetyl; Dpa=N-3 (2,4-dinitrophenyl) -L-α, β-diaminopropionyl]
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥96%
Molecular Formula
C 69 H 103 N 23 O 24
Molecular Weight
1638.7
Shipping Conditions
Blue Ice
Storage Conditions
-20°C

Chemical Information

MCA-Pro-Leu-Ala-Gln-Ala-Val-Dap(DNP)-Arg-Ser-Ser-Ser-Arg-NH2
CAS Number192723-42-5
PubChem CID135921883
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(2,4-dinitroanilino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-(7-methoxy-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]pentanediamide
Molecular FormulaC69H103N23O24
Molecular Weight1638.7
XLogP-5.4
Topological Polar Surface Area755
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count27
Rotatable Bond Count46
Heavy Atom Count116
Formal Charge0
Complexity3590
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC
InChI
InChI=1S/C69H103N23O24/c1-32(2)23-44(84-66(109)49-13-10-22-90(49)53(97)24-36-25-54(98)116-51-27-38(115-7)15-16-39(36)51)61(104)80-34(5)57(100)82-43(18-19-52(70)96)59(102)79-35(6)58(101)89-55(33(3)4)67(110)85-45(28-78-40-17-14-37(91(111)112)26-50(40)92(113)114)62(105)83-42(12-9-21-77-69(74)75)60(103)86-47(30-94)64(107)88-48(31-95)65(108)87-46(29-93)63(106)81-41(56(71)99)11-8-20-76-68(72)73/h14-17,25-27,32-35,41-49,55,78,93-95H,8-13,18-24,28-31H2,1-7H3,(H2,70,96)(H2,71,99)(H,79,102)(H,80,104)(H,81,106)(H,82,100)(H,83,105)(H,84,109)(H,85,110)(H,86,103)(H,87,108)(H,88,107)(H,89,101)(H4,72,73,76)(H4,74,75,77)/t34-,35-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1
InChIKey
QWPFCDHLHMOCKZ-ZZLDSPSDSA-N
Chemical Structure
2D Structure
2D structure of MCA-Pro-Leu-Ala-Gln-Ala-Val-Dap(DNP)-Arg-Ser-Ser-Ser-Arg-NH2
CAS: 192723-42-5
CID: 135921883
Formula: C69H103N23O24
MW: 1638.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1638.7
XLogP3-5.4
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count27
Rotatable Bond Count46
Exact Mass1637.75463125
Monoisotopic Mass1637.75463125
Topological Polar Surface Area755 Ų
Heavy Atom Count116
Formal Charge0
Complexity3590
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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