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FF-10101

CAT: 0013-GTR19176703-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176703-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FF-10101
CAS Number
1472797-69-5
Product Name Alternative
FF 10101, FF10101, FF-10101
Purity
99.36% (May vary between batches)
Solubility
Ethanol:90 mg/mL (169.6 mM) ; H2O:insoluble; DMSO:95 mg/mL (179.02 mM)
Smiles
C (#CCCCNC ([C@@H] (N (C (/C=C/CN (C) C) =O) C) C) =O) C=1C (NCCC) =NC (NC2=CC=C (C#N) C=C2) =NC1
Molecular Formula
C29H38N8O2
Molecular Weight
530.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ff-10101

FF-10101-01 is under investigation in clinical trial NCT03194685 (Study of FF-10101-01 in Patients With Relapsed or Refractory Acute Myeloid Leukemia).

CAS Number1472797-69-5
PubChem CID90052320
IUPAC Name(E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
Molecular FormulaC29H38N8O2
Molecular Weight530.7
XLogP3.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count39
Formal Charge0
Complexity906
SMILES
CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1
InChIKey
HJFSVYUFOXAVAA-YUAYGMJFSA-N
Chemical Structure
2D Structure
2D structure of Ff-10101
CAS: 1472797-69-5
CID: 90052320
Formula: C29H38N8O2
MW: 530.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass530.31177248
Monoisotopic Mass530.31177248
Topological Polar Surface Area126 Ų
Heavy Atom Count39
Formal Charge0
Complexity906
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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